MCTDH on-the-fly: Efficient grid-based quantum dynamics without pre-computed potential energy surfaces

NASA Astrophysics Data System (ADS)

Richings, Gareth W.; Habershon, Scott

2018-04-01

We present significant algorithmic improvements to a recently proposed direct quantum dynamics method, based upon combining well established grid-based quantum dynamics approaches and expansions of the potential energy operator in terms of a weighted sum of Gaussian functions. Specifically, using a sum of low-dimensional Gaussian functions to represent the potential energy surface (PES), combined with a secondary fitting of the PES using singular value decomposition, we show how standard grid-based quantum dynamics methods can be dramatically accelerated without loss of accuracy. This is demonstrated by on-the-fly simulations (using both standard grid-based methods and multi-configuration time-dependent Hartree) of both proton transfer on the electronic ground state of salicylaldimine and the non-adiabatic dynamics of pyrazine.

Efficient Measurement of Multiparticle Entanglement with Embedding Quantum Simulator.

PubMed

Chen, Ming-Cheng; Wu, Dian; Su, Zu-En; Cai, Xin-Dong; Wang, Xi-Lin; Yang, Tao; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

2016-02-19

The quantum measurement of entanglement is a demanding task in the field of quantum information. Here, we report the direct and scalable measurement of multiparticle entanglement with embedding photonic quantum simulators. In this embedding framework [R. Di Candia et al. Phys. Rev. Lett. 111, 240502 (2013)], the N-qubit entanglement, which does not associate with a physical observable directly, can be efficiently measured with only two (for even N) and six (for odd N) local measurement settings. Our experiment uses multiphoton quantum simulators to mimic dynamical concurrence and three-tangle entangled systems and to track their entanglement evolutions.

Efficient prediction of terahertz quantum cascade laser dynamics from steady-state simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agnew, G.; Lim, Y. L.; Nikolić, M.

2015-04-20

Terahertz-frequency quantum cascade lasers (THz QCLs) based on bound-to-continuum active regions are difficult to model owing to their large number of quantum states. We present a computationally efficient reduced rate equation (RE) model that reproduces the experimentally observed variation of THz power with respect to drive current and heat-sink temperature. We also present dynamic (time-domain) simulations under a range of drive currents and predict an increase in modulation bandwidth as the current approaches the peak of the light–current curve, as observed experimentally in mid-infrared QCLs. We account for temperature and bias dependence of the carrier lifetimes, gain, and injection efficiency,more » calculated from a full rate equation model. The temperature dependence of the simulated threshold current, emitted power, and cut-off current are thus all reproduced accurately with only one fitting parameter, the interface roughness, in the full REs. We propose that the model could therefore be used for rapid dynamical simulation of QCL designs.« less

Efficient energy transfer in light-harvesting systems: Quantum-classical comparison, flux network, and robustness analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Jianlan; Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139; Liu Fan

2012-11-07

Following the calculation of optimal energy transfer in thermal environment in our first paper [J. L. Wu, F. Liu, Y. Shen, J. S. Cao, and R. J. Silbey, New J. Phys. 12, 105012 (2010)], full quantum dynamics and leading-order 'classical' hopping kinetics are compared in the seven-site Fenna-Matthews-Olson (FMO) protein complex. The difference between these two dynamic descriptions is due to higher-order quantum corrections. Two thermal bath models, classical white noise (the Haken-Strobl-Reineker (HSR) model) and quantum Debye model, are considered. In the seven-site FMO model, we observe that higher-order corrections lead to negligible changes in the trapping time ormore » in energy transfer efficiency around the optimal and physiological conditions (2% in the HSR model and 0.1% in the quantum Debye model for the initial site at BChl 1). However, using the concept of integrated flux, we can identify significant differences in branching probabilities of the energy transfer network between hopping kinetics and quantum dynamics (26% in the HSR model and 32% in the quantum Debye model for the initial site at BChl 1). This observation indicates that the quantum coherence can significantly change the distribution of energy transfer pathways in the flux network with the efficiency nearly the same. The quantum-classical comparison of the average trapping time with the removal of the bottleneck site, BChl 4, demonstrates the robustness of the efficient energy transfer by the mechanism of multi-site quantum coherence. To reconcile with the latest eight-site FMO model which is also investigated in the third paper [J. Moix, J. L. Wu, P. F. Huo, D. F. Coker, and J. S. Cao, J. Phys. Chem. Lett. 2, 3045 (2011)], the quantum-classical comparison with the flux network analysis is summarized in Appendix C. The eight-site FMO model yields similar trapping time and network structure as the seven-site FMO model but leads to a more disperse distribution of energy transfer pathways.« less

Photoinduced Single- and Multiple-Electron Dynamics Processes Enhanced by Quantum Confinement in Lead Halide Perovskite Quantum Dots

DOE PAGES

Vogel, Dayton J.; Kryjevski, Andrei; Inerbaev, Talgat; ...

2017-03-21

Methylammonium lead iodide perovskite (MAPbI 3) is a promising material for photovoltaic devices. A modification of MAPbI 3 into confined nanostructures is expected to further increase efficiency of solar energy conversion. Photoexcited dynamic processes in a MAPbI3 quantum dot (QD) have been modeled by many-body perturbation theory and nonadiabatic dynamics. A photoexcitation is followed by either exciton cooling (EC), its radiative (RR) or nonradiative recombination (NRR), or multiexciton generation (MEG) processes. Computed times of these processes fall in the order of MEG < EC < RR < NRR, where MEG is on the order of a few femtoseconds, EC ismore » in the picosecond range, while RR and NRR are on the order of nanoseconds. Computed time scales indicate which electronic transition pathways can contribute to increase in charge collection efficiency. Simulated mechanisms of relaxation and their rates show that quantum confinement promotes MEG in MAPbI 3 QDs.« less

Hierarchy of Efficiently Computable and Faithful Lower Bounds to Quantum Discord

NASA Astrophysics Data System (ADS)

Piani, Marco

2016-08-01

Quantum discord expresses a fundamental nonclassicality of correlations that is more general than entanglement, but that, in its standard definition, is not easily evaluated. We derive a hierarchy of computationally efficient lower bounds to the standard quantum discord. Every nontrivial element of the hierarchy constitutes by itself a valid discordlike measure, based on a fundamental feature of quantum correlations: their lack of shareability. Our approach emphasizes how the difference between entanglement and discord depends on whether shareability is intended as a static property or as a dynamical process.

Discrimination of correlated and entangling quantum channels with selective process tomography

DOE PAGES

Dumitrescu, Eugene; Humble, Travis S.

2016-10-10

The accurate and reliable characterization of quantum dynamical processes underlies efforts to validate quantum technologies, where discrimination between competing models of observed behaviors inform efforts to fabricate and operate qubit devices. We present a protocol for quantum channel discrimination that leverages advances in direct characterization of quantum dynamics (DCQD) codes. We demonstrate that DCQD codes enable selective process tomography to improve discrimination between entangling and correlated quantum dynamics. Numerical simulations show selective process tomography requires only a few measurement configurations to achieve a low false alarm rate and that the DCQD encoding improves the resilience of the protocol to hiddenmore » sources of noise. Lastly, our results show that selective process tomography with DCQD codes is useful for efficiently distinguishing sources of correlated crosstalk from uncorrelated noise in current and future experimental platforms.« less

PsiQuaSP-A library for efficient computation of symmetric open quantum systems.

PubMed

Gegg, Michael; Richter, Marten

2017-11-24

In a recent publication we showed that permutation symmetry reduces the numerical complexity of Lindblad quantum master equations for identical multi-level systems from exponential to polynomial scaling. This is important for open system dynamics including realistic system bath interactions and dephasing in, for instance, the Dicke model, multi-Λ system setups etc. Here we present an object-oriented C++ library that allows to setup and solve arbitrary quantum optical Lindblad master equations, especially those that are permutationally symmetric in the multi-level systems. PsiQuaSP (Permutation symmetry for identical Quantum Systems Package) uses the PETSc package for sparse linear algebra methods and differential equations as basis. The aim of PsiQuaSP is to provide flexible, storage efficient and scalable code while being as user friendly as possible. It is easily applied to many quantum optical or quantum information systems with more than one multi-level system. We first review the basics of the permutation symmetry for multi-level systems in quantum master equations. The application of PsiQuaSP to quantum dynamical problems is illustrated with several typical, simple examples of open quantum optical systems.

Dynamic trapping near a quantum critical point

NASA Astrophysics Data System (ADS)

Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli

2015-02-01

The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dumitrescu, Eugene; Humble, Travis S.

The accurate and reliable characterization of quantum dynamical processes underlies efforts to validate quantum technologies, where discrimination between competing models of observed behaviors inform efforts to fabricate and operate qubit devices. We present a protocol for quantum channel discrimination that leverages advances in direct characterization of quantum dynamics (DCQD) codes. We demonstrate that DCQD codes enable selective process tomography to improve discrimination between entangling and correlated quantum dynamics. Numerical simulations show selective process tomography requires only a few measurement configurations to achieve a low false alarm rate and that the DCQD encoding improves the resilience of the protocol to hiddenmore » sources of noise. Lastly, our results show that selective process tomography with DCQD codes is useful for efficiently distinguishing sources of correlated crosstalk from uncorrelated noise in current and future experimental platforms.« less

Multipulse addressing of a Raman quantum memory: configurable beam splitting and efficient readout.

PubMed

Reim, K F; Nunn, J; Jin, X-M; Michelberger, P S; Champion, T F M; England, D G; Lee, K C; Kolthammer, W S; Langford, N K; Walmsley, I A

2012-06-29

Quantum memories are vital to the scalability of photonic quantum information processing (PQIP), since the storage of photons enables repeat-until-success strategies. On the other hand, the key element of all PQIP architectures is the beam splitter, which allows us to coherently couple optical modes. Here, we show how to combine these crucial functionalities by addressing a Raman quantum memory with multiple control pulses. The result is a coherent optical storage device with an extremely large time bandwidth product, that functions as an array of dynamically configurable beam splitters, and that can be read out with arbitrarily high efficiency. Networks of such devices would allow fully scalable PQIP, with applications in quantum computation, long distance quantum communications and quantum metrology.

Global coherence of quantum evolutions based on decoherent histories: Theory and application to photosynthetic quantum energy transport

NASA Astrophysics Data System (ADS)

Allegra, Michele; Giorda, Paolo; Lloyd, Seth

2016-04-01

Assessing the role of interference in natural and artificial quantum dynamical processes is a crucial task in quantum information theory. To this aim, an appropriate formalism is provided by the decoherent histories framework. While this approach has been deeply explored from different theoretical perspectives, it still lacks of a comprehensive set of tools able to concisely quantify the amount of coherence developed by a given dynamics. In this paper, we introduce and test different measures of the (average) coherence present in dissipative (Markovian) quantum evolutions, at various time scales and for different levels of environmentally induced decoherence. In order to show the effectiveness of the introduced tools, we apply them to a paradigmatic quantum process where the role of coherence is being hotly debated: exciton transport in photosynthetic complexes. To spot out the essential features that may determine the performance of the transport, we focus on a relevant trimeric subunit of the Fenna-Matthews-Olson complex and we use a simplified (Haken-Strobl) model for the system-bath interaction. Our analysis illustrates how the high efficiency of environmentally assisted transport can be traced back to a quantum recoil avoiding effect on the exciton dynamics, that preserves and sustains the benefits of the initial fast quantum delocalization of the exciton over the network. Indeed, for intermediate levels of decoherence, the bath is seen to selectively kill the negative interference between different exciton pathways, while retaining the initial positive one. The concepts and tools here developed show how the decoherent histories approach can be used to quantify the relation between coherence and efficiency in quantum dynamical processes.

Fractional quantum mechanics on networks: Long-range dynamics and quantum transport

NASA Astrophysics Data System (ADS)

Riascos, A. P.; Mateos, José L.

2015-11-01

In this paper we study the quantum transport on networks with a temporal evolution governed by the fractional Schrödinger equation. We generalize the dynamics based on continuous-time quantum walks, with transitions to nearest neighbors on the network, to the fractional case that allows long-range displacements. By using the fractional Laplacian matrix of a network, we establish a formalism that combines a long-range dynamics with the quantum superposition of states; this general approach applies to any type of connected undirected networks, including regular, random, and complex networks, and can be implemented from the spectral properties of the Laplacian matrix. We study the fractional dynamics and its capacity to explore the network by means of the transition probability, the average probability of return, and global quantities that characterize the efficiency of this quantum process. As a particular case, we explore analytically these quantities for circulant networks such as rings, interacting cycles, and complete graphs.

Fractional quantum mechanics on networks: Long-range dynamics and quantum transport.

PubMed

Riascos, A P; Mateos, José L

2015-11-01

In this paper we study the quantum transport on networks with a temporal evolution governed by the fractional Schrödinger equation. We generalize the dynamics based on continuous-time quantum walks, with transitions to nearest neighbors on the network, to the fractional case that allows long-range displacements. By using the fractional Laplacian matrix of a network, we establish a formalism that combines a long-range dynamics with the quantum superposition of states; this general approach applies to any type of connected undirected networks, including regular, random, and complex networks, and can be implemented from the spectral properties of the Laplacian matrix. We study the fractional dynamics and its capacity to explore the network by means of the transition probability, the average probability of return, and global quantities that characterize the efficiency of this quantum process. As a particular case, we explore analytically these quantities for circulant networks such as rings, interacting cycles, and complete graphs.

Carrier transport dynamics in Mn-doped CdSe quantum dot sensitized solar cells

NASA Astrophysics Data System (ADS)

Poudyal, Uma; Maloney, Francis S.; Sapkota, Keshab; Wang, Wenyong

2017-10-01

In this work quantum dot sensitized solar cells (QDSSCs) were fabricated with CdSe and Mn-doped CdSe quantum dots (QDs) using the SILAR method. QDSSCs based on Mn-doped CdSe QDs exhibited improved incident photon-to-electron conversion efficiency. Carrier transport dynamics in the QDSSCs were studied using the intensity modulated photocurrent/photovoltage spectroscopy technique, from which transport and recombination time constants could be derived. Compared to CdSe QDSSCs, Mn-CdSe QDSSCs exhibited shorter transport time constant, longer recombination time constant, longer diffusion length, and higher charge collection efficiency. These observations suggested that Mn doping in CdSe QDs could benefit the performance of solar cells based on such nanostructures.

Coherent optimal control of photosynthetic molecules

NASA Astrophysics Data System (ADS)

Caruso, F.; Montangero, S.; Calarco, T.; Huelga, S. F.; Plenio, M. B.

2012-04-01

We demonstrate theoretically that open-loop quantum optimal control techniques can provide efficient tools for the verification of various quantum coherent transport mechanisms in natural and artificial light-harvesting complexes under realistic experimental conditions. To assess the feasibility of possible biocontrol experiments, we introduce the main settings and derive optimally shaped and robust laser pulses that allow for the faithful preparation of specified initial states (such as localized excitation or coherent superposition, i.e., propagating and nonpropagating states) of the photosystem and probe efficiently the subsequent dynamics. With these tools, different transport pathways can be discriminated, which should facilitate the elucidation of genuine quantum dynamical features of photosystems and therefore enhance our understanding of the role that coherent processes may play in actual biological complexes.

Non-Markovian dynamics in chiral quantum networks with spins and photons

NASA Astrophysics Data System (ADS)

Ramos, Tomás; Vermersch, Benoît; Hauke, Philipp; Pichler, Hannes; Zoller, Peter

2016-06-01

We study the dynamics of chiral quantum networks consisting of nodes coupled by unidirectional or asymmetric bidirectional quantum channels. In contrast to familiar photonic networks where driven two-level atoms exchange photons via 1D photonic nanostructures, we propose and study a setup where interactions between the atoms are mediated by spin excitations (magnons) in 1D X X spin chains representing spin waveguides. While Markovian quantum network theory eliminates quantum channels as structureless reservoirs in a Born-Markov approximation to obtain a master equation for the nodes, we are interested in non-Markovian dynamics. This arises from the nonlinear character of the dispersion with band-edge effects, and from finite spin propagation velocities leading to time delays in interactions. To account for the non-Markovian dynamics we treat the quantum degrees of freedom of the nodes and connecting channel as a composite spin system with the surrounding of the quantum network as a Markovian bath, allowing for an efficient solution with time-dependent density matrix renormalization-group techniques. We illustrate our approach showing non-Markovian effects in the driven-dissipative formation of quantum dimers, and we present examples for quantum information protocols involving quantum state transfer with engineered elements as basic building blocks of quantum spintronic circuits.

Periodic thermodynamics of open quantum systems.

PubMed

Brandner, Kay; Seifert, Udo

2016-06-01

The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and the second law are formulated consistently. In the linear response regime, entropy production becomes a quadratic form in the affinities. Specializing to Lindblad dynamics, we identify the corresponding kinetic coefficients in terms of correlation functions of the unperturbed dynamics. Reciprocity relations follow from symmetries with respect to time reversal. The kinetic coefficients can be split into a classical and a quantum contribution subject to an additional constraint, which follows from a natural detailed balance condition. This constraint implies universal bounds on efficiency and power of quantum heat engines. In particular, we show that Carnot efficiency cannot be reached whenever quantum coherence effects are present, i.e., when the Hamiltonian used for work extraction does not commute with the bare system Hamiltonian. For illustration, we specialize our universal results to a driven two-level system in contact with a heat bath of sinusoidally modulated temperature.

Periodic thermodynamics of open quantum systems

NASA Astrophysics Data System (ADS)

Brandner, Kay; Seifert, Udo

2016-06-01

The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and the second law are formulated consistently. In the linear response regime, entropy production becomes a quadratic form in the affinities. Specializing to Lindblad dynamics, we identify the corresponding kinetic coefficients in terms of correlation functions of the unperturbed dynamics. Reciprocity relations follow from symmetries with respect to time reversal. The kinetic coefficients can be split into a classical and a quantum contribution subject to an additional constraint, which follows from a natural detailed balance condition. This constraint implies universal bounds on efficiency and power of quantum heat engines. In particular, we show that Carnot efficiency cannot be reached whenever quantum coherence effects are present, i.e., when the Hamiltonian used for work extraction does not commute with the bare system Hamiltonian. For illustration, we specialize our universal results to a driven two-level system in contact with a heat bath of sinusoidally modulated temperature.

Efficient analysis of mode profiles in elliptical microcavity using dynamic-thermal electron-quantum medium FDTD method.

PubMed

Khoo, E H; Ahmed, I; Goh, R S M; Lee, K H; Hung, T G G; Li, E P

2013-03-11

The dynamic-thermal electron-quantum medium finite-difference time-domain (DTEQM-FDTD) method is used for efficient analysis of mode profile in elliptical microcavity. The resonance peak of the elliptical microcavity is studied by varying the length ratio. It is observed that at some length ratios, cavity mode is excited instead of whispering gallery mode. This depicts that mode profiles are length ratio dependent. Through the implementation of the DTEQM-FDTD on graphic processing unit (GPU), the simulation time is reduced by 300 times as compared to the CPU. This leads to an efficient optimization approach to design microcavity lasers for wide range of applications in photonic integrated circuits.

Microscopic observation of carrier-transport dynamics in quantum-structure solar cells using a time-of-flight technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toprasertpong, Kasidit; Fujii, Hiromasa; Sugiyama, Masakazu

2015-07-27

In this study, we propose a carrier time-of-flight technique to evaluate the carrier transport time across a quantum structure in an active region of solar cells. By observing the time-resolved photoluminescence signal with a quantum-well probe inserted under the quantum structure at forward bias, the carrier transport time can be efficiently determined at room temperature. The averaged drift velocity shows linear dependence on the internal field, allowing us to estimate the quantum structure as a quasi-bulk material with low effective mobility containing the information of carrier dynamics. We show that this direct and real-time observation is more sensitive to carriermore » transport than other conventional techniques, providing better insights into microscopic carrier transport dynamics to overcome a device design difficulty.« less

Bit-level quantum color image encryption scheme with quantum cross-exchange operation and hyper-chaotic system

NASA Astrophysics Data System (ADS)

Zhou, Nanrun; Chen, Weiwei; Yan, Xinyu; Wang, Yunqian

2018-06-01

In order to obtain higher encryption efficiency, a bit-level quantum color image encryption scheme by exploiting quantum cross-exchange operation and a 5D hyper-chaotic system is designed. Additionally, to enhance the scrambling effect, the quantum channel swapping operation is employed to swap the gray values of corresponding pixels. The proposed color image encryption algorithm has larger key space and higher security since the 5D hyper-chaotic system has more complex dynamic behavior, better randomness and unpredictability than those based on low-dimensional hyper-chaotic systems. Simulations and theoretical analyses demonstrate that the presented bit-level quantum color image encryption scheme outperforms its classical counterparts in efficiency and security.

Efficient Quantum Pseudorandomness.

PubMed

Brandão, Fernando G S L; Harrow, Aram W; Horodecki, Michał

2016-04-29

Randomness is both a useful way to model natural systems and a useful tool for engineered systems, e.g., in computation, communication, and control. Fully random transformations require exponential time for either classical or quantum systems, but in many cases pseudorandom operations can emulate certain properties of truly random ones. Indeed, in the classical realm there is by now a well-developed theory regarding such pseudorandom operations. However, the construction of such objects turns out to be much harder in the quantum case. Here, we show that random quantum unitary time evolutions ("circuits") are a powerful source of quantum pseudorandomness. This gives for the first time a polynomial-time construction of quantum unitary designs, which can replace fully random operations in most applications, and shows that generic quantum dynamics cannot be distinguished from truly random processes. We discuss applications of our result to quantum information science, cryptography, and understanding the self-equilibration of closed quantum dynamics.

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Hardware-efficient Bell state preparation using Quantum Zeno Dynamics in superconducting circuits

NASA Astrophysics Data System (ADS)

Flurin, Emmanuel; Blok, Machiel; Hacohen-Gourgy, Shay; Martin, Leigh S.; Livingston, William P.; Dove, Allison; Siddiqi, Irfan

By preforming a continuous joint measurement on a two qubit system, we restrict the qubit evolution to a chosen subspace of the total Hilbert space. This extension of the quantum Zeno effect, called Quantum Zeno Dynamics, has already been explored in various physical systems such as superconducting cavities, single rydberg atoms, atomic ensembles and Bose Einstein condensates. In this experiment, two superconducting qubits are strongly dispersively coupled to a high-Q cavity (χ >> κ) allowing for the doubly excited state | 11 〉 to be selectively monitored. The Quantum Zeno Dynamics in the complementary subspace enables us to coherently prepare a Bell state. As opposed to dissipation engineering schemes, we emphasize that our protocol is deterministic, does not rely direct coupling between qubits and functions only using single qubit controls and cavity readout. Such Quantum Zeno Dynamics can be generalized to larger Hilbert space enabling deterministic generation of many-body entangled states, and thus realizes a decoherence-free subspace allowing alternative noise-protection schemes.

From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics

NASA Astrophysics Data System (ADS)

Kreis, Karsten; Kremer, Kurt; Potestio, Raffaello; Tuckerman, Mark E.

2017-12-01

Path integral-based methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical simulations. To reduce this numerical effort, we recently proposed a method, based on a rigorous Hamiltonian formulation, which restricts the quantum modeling to a small but relevant spatial region within a larger reservoir where particles are treated classically. In this work, we extend this idea and show how it can be implemented along with state-of-the-art path integral simulation techniques, including path-integral molecular dynamics, which allows for the calculation of quantum statistical properties, and ring-polymer and centroid molecular dynamics, which allow the calculation of approximate quantum dynamical properties. To this end, we derive a new integration algorithm that also makes use of multiple time-stepping. The scheme is validated via adaptive classical-path-integral simulations of liquid water. Potential applications of the proposed multiresolution method are diverse and include efficient quantum simulations of interfaces as well as complex biomolecular systems such as membranes and proteins.

Demonstration of nonreciprocity in a microwave cavity optomechanical circuit

NASA Astrophysics Data System (ADS)

Peterson, Gabriel; Lecocq, Florent; Kotler, Shlomi; Cicak, Katarina; Simmonds, Raymond; Aumentado, Jose; Teufel, John

The ability to engineer nonreciprocal interactions is essential for many applications including quantum signal processing and quantum transduction. While attributes such as high efficiency and low added noise are always beneficial, for quantum applications these metrics are crucial. Here we present recent experimental results on a parametric, nonreciprocal microwave circuit based on the optomechanical interaction between a superconducting microwave resonator and a mechanically compliant vacuum gap capacitor. Unlike standard Faraday-based circulators, this parametric interaction does not require magnetic fields, and the direction of circulation can be controlled dynamically in situ. Looking forward, such devices could enable programmable, high-efficiency connections between disparate nodes of a quantum network.

Quantum Brownian motion model for the stock market

NASA Astrophysics Data System (ADS)

Meng, Xiangyi; Zhang, Jian-Wei; Guo, Hong

2016-06-01

It is believed by the majority today that the efficient market hypothesis is imperfect because of market irrationality. Using the physical concepts and mathematical structures of quantum mechanics, we construct an econophysical framework for the stock market, based on which we analogously map massive numbers of single stocks into a reservoir consisting of many quantum harmonic oscillators and their stock index into a typical quantum open system-a quantum Brownian particle. In particular, the irrationality of stock transactions is quantitatively considered as the Planck constant within Heisenberg's uncertainty relationship of quantum mechanics in an analogous manner. We analyze real stock data of Shanghai Stock Exchange of China and investigate fat-tail phenomena and non-Markovian behaviors of the stock index with the assistance of the quantum Brownian motion model, thereby interpreting and studying the limitations of the classical Brownian motion model for the efficient market hypothesis from a new perspective of quantum open system dynamics.

Ultrafast carrier dynamics in GaN/InGaN multiple quantum wells nanorods

NASA Astrophysics Data System (ADS)

Chen, Weijian; Wen, Xiaoming; Latzel, Michael; Yang, Jianfeng; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Christiansen, Silke; Conibeer, Gavin

2018-01-01

GaN/InGaN multiple quantum wells (MQW) is a promising material for high-efficiency solid-state lighting. Ultrafast optical pump-probe spectroscopy is an important characterization technique for examining fundamental phenomena in semiconductor nanostructure with sub-picosecond resolution. In this study, ultrafast exciton and charge carrier dynamics in GaN/InGaN MQW planar layer and nanorod are investigated using femtosecond transient absorption (TA) techniques at room temperature. Here nanorods are fabricated by etching the GaN/InGaN MQW planar layers using nanosphere lithography and reactive ion etching. Photoluminescence efficiency of the nanorods have been proved to be much higher than that of the planar layers, but the mechanism of the nanorod structure improvement of PL efficiency is not adequately studied. By comparing the TA profile of the GaN/InGaN MQW planar layers and nanorods, the impact of surface states and nanorods lateral confinement in the ultrafast carrier dynamics of GaN/InGaN MQW is revealed. The nanorod sidewall surface states have a strong influence on the InGaN quantum well carrier dynamics. The ultrafast relaxation processes studied in this GaN/InGaN MQW nanostructure is essential for further optimization of device application.

Nanoscale Characterization of Carrier Dynamic and Surface Passivation in InGaN/GaN Multiple Quantum Wells on GaN Nanorods.

PubMed

Chen, Weijian; Wen, Xiaoming; Latzel, Michael; Heilmann, Martin; Yang, Jianfeng; Dai, Xi; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Christiansen, Silke; Conibeer, Gavin

2016-11-23

Using advanced two-photon excitation confocal microscopy, associated with time-resolved spectroscopy, we characterize InGaN/GaN multiple quantum wells on nanorod heterostructures and demonstrate the passivation effect of a KOH treatment. High-quality InGaN/GaN nanorods were fabricated using nanosphere lithography as a candidate material for light-emitting diode devices. The depth- and time-resolved characterization at the nanoscale provides detailed carrier dynamic analysis helpful for understanding the optical properties. The nanoscale spatially resolved images of InGaN quantum well and defects were acquired simultaneously. We demonstrate that nanorod etching improves light extraction efficiency, and a proper KOH treatment has been found to reduce the surface defects efficiently and enhance the luminescence. The optical characterization techniques provide depth-resolved and time-resolved carrier dynamics with nanoscale spatially resolved mapping, which is crucial for a comprehensive and thorough understanding of nanostructured materials and provides novel insight into the improvement of materials fabrication and applications.

Arbitrary-quantum-state preparation of a harmonic oscillator via optimal control

NASA Astrophysics Data System (ADS)

Rojan, Katharina; Reich, Daniel M.; Dotsenko, Igor; Raimond, Jean-Michel; Koch, Christiane P.; Morigi, Giovanna

2014-08-01

The efficient initialization of a quantum system is a prerequisite for quantum technological applications. Here we show that several classes of quantum states of a harmonic oscillator can be efficiently prepared by means of a Jaynes-Cummings interaction with a single two-level system. This is achieved by suitably tailoring external fields which drive the dipole and/or the oscillator. The time-dependent dynamics that leads to the target state is identified by means of optimal control theory (OCT) based on Krotov's method. Infidelities below 10-4 can be reached for the parameters of the experiment of Raimond, Haroche, Brune and co-workers, where the oscillator is a mode of a high-Q microwave cavity and the dipole is a Rydberg transition of an atom. For this specific situation we analyze the limitations on the fidelity due to parameter fluctuations and identify robust dynamics based on pulses found using ensemble OCT. Our analysis can be extended to quantum-state preparation of continuous-variable systems in other platforms, such as trapped ions and circuit QED.

Review – Quantum Dots and Their Application in Lighting, Displays, and Biology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frecker, Talitha; Bailey, Danielle; Arzeta-Ferrer, Xochitl

2015-08-18

In this review, we focus on the advancement of white light emitting nanocrystals, their usage as the emissive layer in LEDs and display backlights, and examine the increased efficiency and longevity of quantum dots based colored LEDs. In addition, we also explore recent discoveries on quantum dots as biological labels, dynamic trackers, and applications in drug delivery.

QuantumOptics.jl: A Julia framework for simulating open quantum systems

NASA Astrophysics Data System (ADS)

Krämer, Sebastian; Plankensteiner, David; Ostermann, Laurin; Ritsch, Helmut

2018-06-01

We present an open source computational framework geared towards the efficient numerical investigation of open quantum systems written in the Julia programming language. Built exclusively in Julia and based on standard quantum optics notation, the toolbox offers speed comparable to low-level statically typed languages, without compromising on the accessibility and code readability found in dynamic languages. After introducing the framework, we highlight its features and showcase implementations of generic quantum models. Finally, we compare its usability and performance to two well-established and widely used numerical quantum libraries.

Efficiency versus speed in quantum heat engines: Rigorous constraint from Lieb-Robinson bound

NASA Astrophysics Data System (ADS)

Shiraishi, Naoto; Tajima, Hiroyasu

2017-08-01

A long-standing open problem whether a heat engine with finite power achieves the Carnot efficiency is investgated. We rigorously prove a general trade-off inequality on thermodynamic efficiency and time interval of a cyclic process with quantum heat engines. In a first step, employing the Lieb-Robinson bound we establish an inequality on the change in a local observable caused by an operation far from support of the local observable. This inequality provides a rigorous characterization of the following intuitive picture that most of the energy emitted from the engine to the cold bath remains near the engine when the cyclic process is finished. Using this description, we prove an upper bound on efficiency with the aid of quantum information geometry. Our result generally excludes the possibility of a process with finite speed at the Carnot efficiency in quantum heat engines. In particular, the obtained constraint covers engines evolving with non-Markovian dynamics, which almost all previous studies on this topic fail to address.

Efficiency versus speed in quantum heat engines: Rigorous constraint from Lieb-Robinson bound.

PubMed

Shiraishi, Naoto; Tajima, Hiroyasu

2017-08-01

A long-standing open problem whether a heat engine with finite power achieves the Carnot efficiency is investgated. We rigorously prove a general trade-off inequality on thermodynamic efficiency and time interval of a cyclic process with quantum heat engines. In a first step, employing the Lieb-Robinson bound we establish an inequality on the change in a local observable caused by an operation far from support of the local observable. This inequality provides a rigorous characterization of the following intuitive picture that most of the energy emitted from the engine to the cold bath remains near the engine when the cyclic process is finished. Using this description, we prove an upper bound on efficiency with the aid of quantum information geometry. Our result generally excludes the possibility of a process with finite speed at the Carnot efficiency in quantum heat engines. In particular, the obtained constraint covers engines evolving with non-Markovian dynamics, which almost all previous studies on this topic fail to address.

Light-induced nonadiabatic dynamics in molecular assemblies and nanostructures

NASA Astrophysics Data System (ADS)

Mitric, Roland

The combination of mixed quantum-classical dynamics with efficient electronic structure methods was developed in order to simulate the light-induced processes in complex molecules, multichromophoric aggregates and metallic nanostructures. We will demonstrate how the combination of nonadiabatic dynamics with experimental pump-probe techniques such as time-resolved photoelectron imaging (TRPEI) allows to fully resolve the mechanism of excited state relaxation through conical intersections in several prototype organic- and biomolecules. Specifically, the role of the solvent in the excited state relaxation in microsolvated and fully solvated systems will be addressed. Currently there is growing evidence that nonadiabatic relaxation processes also play a fundamental role in determining the efficiency of excitonic transfer or charge injection in multichromophoric assemblies. Since such systems are currently out of the reach of the state-of-the-art quantum chemistry a development of even more efficient quantum chemical approaches is necessary in order to describe the excited state dynamics in such assemblies. For this purpose we have recently developed long-range corrected time-dependent density functional tight binding (LC-TDDFTB) nonadiabatic dynamics and combined it with the QM/MM approach in order to simulate exciton relaxation in complex systems. The applications of the method to the investigation of the optical properties and dynamics in multichromophoric assemblies including stacked pi-conjugated organic chromophores, model molecular crystals as well as self-organized dye aggregates will be presented. Finally, we will address exciton transport dynamics coupled with the light propagation in hybrid exciton-plasmon nanostructures, which represent promising materials fort the development of novel light-harvesting systems.

Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov states.

PubMed

Fujihashi, Yuta; Wang, Lu; Zhao, Yang

2017-12-21

Recent advances in quantum optics allow for exploration of boson dynamics in dissipative many-body systems. However, the traditional descriptions of quantum dissipation using reduced density matrices are unable to capture explicit information of bath dynamics. In this work, efficient evaluation of boson dynamics is demonstrated by combining the multiple Davydov Ansatz with finite-temperature time-dependent variation, going beyond what state-of-the-art density matrix approaches are capable to offer for coupled electron-boson systems. To this end, applications are made to excitation energy transfer in photosynthetic systems, singlet fission in organic thin films, and circuit quantum electrodynamics in superconducting devices. Thanks to the multiple Davydov Ansatz, our analysis of boson dynamics leads to clear revelation of boson modes strongly coupled to electronic states, as well as in-depth description of polaron creation and destruction in the presence of thermal fluctuations.

Statistical quasi-particle theory for open quantum systems

NASA Astrophysics Data System (ADS)

Zhang, Hou-Dao; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2018-04-01

This paper presents a comprehensive account on the recently developed dissipaton-equation-of-motion (DEOM) theory. This is a statistical quasi-particle theory for quantum dissipative dynamics. It accurately describes the influence of bulk environments, with a few number of quasi-particles, the dissipatons. The novel dissipaton algebra is then followed, which readily bridges the Schrödinger equation to the DEOM theory. As a fundamental theory of quantum mechanics in open systems, DEOM characterizes both the stationary and dynamic properties of system-and-bath interferences. It treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that could be experimentally measurable. Examples are the linear or nonlinear Fano interferences and the Herzberg-Teller vibronic couplings in optical spectroscopies. This review covers the DEOM construction, the underlying dissipaton algebra and theorems, the physical meanings of dynamical variables, the possible identifications of dissipatons, and some recent advancements in efficient DEOM evaluations on various problems. The relations of the present theory to other nonperturbative methods are also critically presented.

Onsets of hierarchy truncation and self–consistent Born approximation with quantum mechanics prescriptions invariance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Hou-Dao; Yan, YiJing, E-mail: yyan@ust.hk; iChEM and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026

2015-12-07

The issue of efficient hierarchy truncation is related to many approximate theories. In this paper, we revisit this issue from both the numerical efficiency and quantum mechanics prescription invariance aspects. The latter requires that the truncation approximation made in Schrödinger picture, such as the quantum master equations and their self–consistent–Born–approximation improvements, should be transferable to their Heisenberg–picture correspondences, without further approximations. We address this issue with the dissipaton equation of motion (DEOM), which is a unique theory for the dynamics of not only reduced systems but also hybrid bath environments. We also highlight the DEOM theory is not only aboutmore » how its dynamical variables evolve in time, but also the underlying dissipaton algebra. We demonstrate this unique feature of DEOM with model systems and report some intriguing nonlinear Fano interferences characteristics that are experimentally measurable.« less

Efficient steady-state solver for hierarchical quantum master equations

NASA Astrophysics Data System (ADS)

Zhang, Hou-Dao; Qiao, Qin; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2017-07-01

Steady states play pivotal roles in many equilibrium and non-equilibrium open system studies. Their accurate evaluations call for exact theories with rigorous treatment of system-bath interactions. Therein, the hierarchical equations-of-motion (HEOM) formalism is a nonperturbative and non-Markovian quantum dissipation theory, which can faithfully describe the dissipative dynamics and nonlinear response of open systems. Nevertheless, solving the steady states of open quantum systems via HEOM is often a challenging task, due to the vast number of dynamical quantities involved. In this work, we propose a self-consistent iteration approach that quickly solves the HEOM steady states. We demonstrate its high efficiency with accurate and fast evaluations of low-temperature thermal equilibrium of a model Fenna-Matthews-Olson pigment-protein complex. Numerically exact evaluation of thermal equilibrium Rényi entropies and stationary emission line shapes is presented with detailed discussion.

Loss of coherence and memory effects in quantum dynamics Loss of coherence and memory effects in quantum dynamics

NASA Astrophysics Data System (ADS)

Benatti, Fabio; Floreanini, Roberto; Scholes, Greg

2012-08-01

The last years have witnessed fast growing developments in the use of quantum mechanics in technology-oriented and information-related fields, especially in metrology, in the developments of nano-devices and in understanding highly efficient transport processes. The consequent theoretical and experimental outcomes are now driving new experimental tests of quantum mechanical effects with unprecedented accuracies that carry with themselves the concrete possibility of novel technological spin-offs. Indeed, the manifold advances in quantum optics, atom and ion manipulations, spintronics and nano-technologies are allowing direct experimental verifications of new ideas and their applications to a large variety of fields. All of these activities have revitalized interest in quantum mechanics and created a unique framework in which theoretical and experimental physics have become fruitfully tangled with information theory, computer, material and life sciences. This special issue aims to provide an overview of what is currently being pursued in the field and of what kind of theoretical reference frame is being developed together with the experimental and theoretical results. It consists of three sections: 1. Memory effects in quantum dynamics and quantum channels 2. Driven open quantum systems 3. Experiments concerning quantum coherence and/or decoherence The first two sections are theoretical and concerned with open quantum systems. In all of the above mentioned topics, the presence of an external environment needs to be taken into account, possibly in the presence of external controls and/or forcing, leading to driven open quantum systems. The open system paradigm has proven to be central in the analysis and understanding of many basic issues of quantum mechanics, such as the measurement problem, quantum communication and coherence, as well as for an ever growing number of applications. The theory is, however, well-settled only when the so-called Markovian or memoryless, approximation applies. When strong coupling or long environmental relaxation times make memory effects important for a realistic description of the dynamics, new strategies are asked for and the assessment of the general structure of non-Markovian dynamical equations for realistic systems is a crucial issue. The impact of quantum phenomena such as coherence and entanglement in biology has recently started to be considered as a possible source of the high efficiency of certain biological mechanisms, including e.g. light harvesting in photosynthesis and enzyme catalysis. In this effort, the relatively unknown territory of driven open quantum systems is being explored from various directions, with special attention to the creation and stability of coherent structures away from thermal equilibrium. These investigations are likely to advance our understanding of the scope and role of quantum mechanics in living systems; at the same time they provide new ideas for the developments of next generations of devices implementing highly efficient energy harvesting and conversion. The third section concerns experimental studies that are currently being pursued. Multidimensional nonlinear spectroscopy, in particular, has played an important role in enabling experimental detection of the signatures of coherence. Recent remarkable results suggest that coherence—both electronic and vibrational—survive for substantial timescales even in complex biological systems. The papers reported in this issue describe work at the forefront of this field, where researchers are seeking a detailed understanding of the experimental signatures of coherence and its implications for light-induced processes in biology and chemistry.

Broadband multiresonator quantum memory-interface.

PubMed

Moiseev, S A; Gerasimov, K I; Latypov, R R; Perminov, N S; Petrovnin, K V; Sherstyukov, O N

2018-03-05

In this paper we experimentally demonstrated a broadband scheme of the multiresonator quantum memory-interface. The microwave photonic scheme consists of the system of mini-resonators strongly interacting with a common broadband resonator coupled with the external waveguide. We have implemented the impedance matched quantum storage in this scheme via controllable tuning of the mini-resonator frequencies and coupling of the common resonator with the external waveguide. Proof-of-principal experiment has been demonstrated for broadband microwave pulses when the quantum efficiency of 16.3% was achieved at room temperature. By using the obtained experimental spectroscopic data, the dynamics of the signal retrieval has been simulated and promising results were found for high-Q mini-resonators in microwave and optical frequency ranges. The results pave the way for the experimental implementation of broadband quantum memory-interface with quite high efficiency η > 0.99 on the basis of modern technologies, including optical quantum memory at room temperature.

Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach

NASA Astrophysics Data System (ADS)

Makhov, Dmitry V.; Symonds, Christopher; Fernandez-Alberti, Sebastian; Shalashilin, Dmitrii V.

2017-08-01

The Multiconfigurational Ehrenfest (MCE) method is a quantum dynamics technique which allows treatment of a large number of quantum nuclear degrees of freedom. This paper presents a review of MCE and its recent applications, providing a summary of the formalisms, including its ab initio direct dynamics versions and also giving a summary of recent results. Firstly, we describe the Multiconfigurational Ehrenfest version 2 (MCEv2) method and its applicability to direct dynamics and report new calculations which show that the approach converges to the exact result in model systems with tens of degrees of freedom. Secondly, we review previous ;on the fly; ab initio Multiple Cloning (AIMC-MCE) MCE dynamics results obtained for systems of a similar size, in which the calculations treat every electron and every nucleus of a polyatomic molecule on a fully quantum basis. We also review the Time Dependent Diabatic Basis (TDDB) version of the technique and give an example of its application. We summarise the details of the sampling techniques and interpolations used for calculation of the matrix elements, which make our approach efficient. Future directions of work are outlined.

Systematic Dimensionality Reduction for Quantum Walks: Optimal Spatial Search and Transport on Non-Regular Graphs

PubMed Central

Novo, Leonardo; Chakraborty, Shantanav; Mohseni, Masoud; Neven, Hartmut; Omar, Yasser

2015-01-01

Continuous time quantum walks provide an important framework for designing new algorithms and modelling quantum transport and state transfer problems. Often, the graph representing the structure of a problem contains certain symmetries that confine the dynamics to a smaller subspace of the full Hilbert space. In this work, we use invariant subspace methods, that can be computed systematically using the Lanczos algorithm, to obtain the reduced set of states that encompass the dynamics of the problem at hand without the specific knowledge of underlying symmetries. First, we apply this method to obtain new instances of graphs where the spatial quantum search algorithm is optimal: complete graphs with broken links and complete bipartite graphs, in particular, the star graph. These examples show that regularity and high-connectivity are not needed to achieve optimal spatial search. We also show that this method considerably simplifies the calculation of quantum transport efficiencies. Furthermore, we observe improved efficiencies by removing a few links from highly symmetric graphs. Finally, we show that this reduction method also allows us to obtain an upper bound for the fidelity of a single qubit transfer on an XY spin network. PMID:26330082

QMMMW: A wrapper for QM/MM simulations with QUANTUM ESPRESSO and LAMMPS

NASA Astrophysics Data System (ADS)

Ma, Changru; Martin-Samos, Layla; Fabris, Stefano; Laio, Alessandro; Piccinin, Simone

2015-10-01

We present QMMMW, a new program aimed at performing Quantum Mechanics/Molecular Mechanics (QM/MM) molecular dynamics. The package operates as a wrapper that patches PWscf code included in the QUANTUM ESPRESSO distribution and LAMMPS Molecular Dynamics Simulator. It is designed with a paradigm based on three guidelines: (i) minimal amount of modifications on the parent codes, (ii) flexibility and computational efficiency of the communication layer and (iii) accuracy of the Hamiltonian describing the interaction between the QM and MM subsystems. These three features are seldom present simultaneously in other implementations of QMMM. The QMMMW project is hosted by qe-forge at

Nonadiabatic dynamics of photo-induced proton-coupled electron transfer reactions via ring-polymer surface hopping

NASA Astrophysics Data System (ADS)

Shakib, Farnaz; Huo, Pengfei

Photo-induced proton-coupled electron transfer reactions (PCET) are at the heart of energy conversion reactions in photocatalysis. Here, we apply the recently developed ring-polymer surface-hopping (RPSH) approach to simulate the nonadiabatic dynamics of photo-induced PCET. The RPSH method incorporates ring-polymer (RP) quantization of the proton into the fewest-switches surface-hopping (FSSH) approach. Using two diabatic electronic states, corresponding to the electron donor and acceptor states, we model photo-induced PCET with the proton described by a classical isomorphism RP. From the RPSH method, we obtain numerical results that are comparable to those obtained when the proton is treated quantum mechanically. This accuracy stems from incorporating exact quantum statistics, such as proton tunnelling, into approximate quantum dynamics. Additionally, RPSH offers the numerical accuracy along with the computational efficiency. Namely, compared to the FSSH approach in vibronic representation, there is no need to calculate a massive number of vibronic states explicitly. This approach opens up the possibility to accurately and efficiently simulate photo-induced PCET with multiple transferring protons or electrons.

Dynamic quantum secret sharing by using d-dimensional GHZ state

NASA Astrophysics Data System (ADS)

Qin, Huawang; Dai, Yuewei

2017-03-01

Through generating the d-dimensional GHZ state in the Z-basis and measuring it in the X-basis, a dynamic quantum secret sharing scheme is proposed. In the proposed scheme, multiple participants can be added or deleted in one update period, and the shared secret does not need to be changed. The participants can be added or deleted by themselves, and the dealer does not need to be online. Compared to the existing schemes, the proposed scheme is more efficient and more practical.

Quantum coherence spectroscopy reveals complex dynamics in bacterial light-harvesting complex 2 (LH2).

PubMed

Harel, Elad; Engel, Gregory S

2012-01-17

Light-harvesting antenna complexes transfer energy from sunlight to photosynthetic reaction centers where charge separation drives cellular metabolism. The process through which pigments transfer excitation energy involves a complex choreography of coherent and incoherent processes mediated by the surrounding protein and solvent environment. The recent discovery of coherent dynamics in photosynthetic light-harvesting antennae has motivated many theoretical models exploring effects of interference in energy transfer phenomena. In this work, we provide experimental evidence of long-lived quantum coherence between the spectrally separated B800 and B850 rings of the light-harvesting complex 2 (LH2) of purple bacteria. Spectrally resolved maps of the detuning, dephasing, and the amplitude of electronic coupling between excitons reveal that different relaxation pathways act in concert for optimal transfer efficiency. Furthermore, maps of the phase of the signal suggest that quantum mechanical interference between different energy transfer pathways may be important even at ambient temperature. Such interference at a product state has already been shown to enhance the quantum efficiency of transfer in theoretical models of closed loop systems such as LH2.

Quantum coherence spectroscopy reveals complex dynamics in bacterial light-harvesting complex 2 (LH2)

PubMed Central

Harel, Elad; Engel, Gregory S.

2012-01-01

Light-harvesting antenna complexes transfer energy from sunlight to photosynthetic reaction centers where charge separation drives cellular metabolism. The process through which pigments transfer excitation energy involves a complex choreography of coherent and incoherent processes mediated by the surrounding protein and solvent environment. The recent discovery of coherent dynamics in photosynthetic light-harvesting antennae has motivated many theoretical models exploring effects of interference in energy transfer phenomena. In this work, we provide experimental evidence of long-lived quantum coherence between the spectrally separated B800 and B850 rings of the light-harvesting complex 2 (LH2) of purple bacteria. Spectrally resolved maps of the detuning, dephasing, and the amplitude of electronic coupling between excitons reveal that different relaxation pathways act in concert for optimal transfer efficiency. Furthermore, maps of the phase of the signal suggest that quantum mechanical interference between different energy transfer pathways may be important even at ambient temperature. Such interference at a product state has already been shown to enhance the quantum efficiency of transfer in theoretical models of closed loop systems such as LH2. PMID:22215585

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

DOE PAGES

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

2018-03-22

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

NASA Astrophysics Data System (ADS)

Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

2018-05-01

One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

Quantum computation with trapped ions in an optical cavity.

PubMed

Pachos, Jiannis; Walther, Herbert

2002-10-28

Two-qubit logical gates are proposed on the basis of two atoms trapped in a cavity setup and commonly addressed by laser fields. Losses in the interaction by spontaneous transitions are efficiently suppressed by employing adiabatic transitions and the quantum Zeno effect. Dynamical and geometrical conditional phase gates are suggested. This method provides fidelity and a success rate of its gates very close to unity. Hence, it is suitable for performing quantum computation.

Dynamics of tripartite quantum correlations and decoherence in flux qubit systems under local and non-local static noise

NASA Astrophysics Data System (ADS)

Arthur, Tsamouo Tsokeng; Martin, Tchoffo; Fai, Lukong Cornelius

2018-06-01

We investigate the dynamics of entanglement, decoherence and quantum discord in a system of three non-interacting superconducting flux qubits (fqubits) initially prepared in a Greenberger-Horne-Zeilinger (GHZ) state and subject to static noise in different, bipartite and common environments, since it is recognized that different noise configurations generally lead to completely different dynamical behavior of physical systems. The noise is modeled by randomizing the single fqubit transition amplitude. Decoherence and quantum correlations dynamics are strongly affected by the purity of the initial state, type of system-environment interaction and the system-environment coupling strength. Specifically, quantum correlations can persist when the fqubits are commonly coupled to a noise source, and reaches a saturation value respective to the purity of the initial state. As the number of decoherence channels increases (bipartite and different environments), decoherence becomes stronger against quantum correlations that decay faster, exhibiting sudden death and revival phenomena. The residual entanglement can be successfully detected by means of suitable entanglement witness, and we derive a necessary condition for entanglement detection related to the tunable and non-degenerated energy levels of fqubits. In accordance with the current literature, our results further suggest the efficiency of fqubits over ordinary ones, as far as the preservation of quantum correlations needed for quantum processing purposes is concerned.

Quantum measurement-induced dynamics of many-body ultracold bosonic and fermionic systems in optical lattices

NASA Astrophysics Data System (ADS)

Mazzucchi, Gabriel; Kozlowski, Wojciech; Caballero-Benitez, Santiago F.; Elliott, Thomas J.; Mekhov, Igor B.

2016-02-01

Trapping ultracold atoms in optical lattices enabled numerous breakthroughs uniting several disciplines. Coupling these systems to quantized light leads to a plethora of new phenomena and has opened up a new field of study. Here we introduce an unusual additional source of competition in a many-body strongly correlated system: We prove that quantum backaction of global measurement is able to efficiently compete with intrinsic short-range dynamics of an atomic system. The competition becomes possible due to the ability to change the spatial profile of a global measurement at a microscopic scale comparable to the lattice period without the need of single site addressing. In coherence with a general physical concept, where new competitions typically lead to new phenomena, we demonstrate nontrivial dynamical effects such as large-scale multimode oscillations, long-range entanglement, and correlated tunneling, as well as selective suppression and enhancement of dynamical processes beyond the projective limit of the quantum Zeno effect. We demonstrate both the breakup and protection of strongly interacting fermion pairs by measurement. Such a quantum optical approach introduces into many-body physics novel processes, objects, and methods of quantum engineering, including the design of many-body entangled environments for open systems.

Tuning the Quantum Efficiency of Random Lasers - Intrinsic Stokes-Shift and Gain

PubMed Central

Lubatsch, Andreas; Frank, Regine

2015-01-01

We report the theoretical analysis for tuning the quantum efficiency of solid state random lasers. Vollhardt-Wölfle theory of photonic transport in disordered non-conserving and open random media, is coupled to lasing dynamics and solved positionally dependent. The interplay of non-linearity and homogeneous non-radiative frequency conversion by means of a Stokes-shift leads to a reduction of the quantum efficiency of the random laser. At the threshold a strong decrease of the spot-size in the stationary state is found due to the increase of non-radiative losses. The coherently emitted photon number per unit of modal surface is also strongly reduced. This result allows for the conclusion that Stokes-shifts are not sufficient to explain confined and extended mode regimes. PMID:26593237

Tuning the Quantum Efficiency of Random Lasers - Intrinsic Stokes-Shift and Gain.

PubMed

Lubatsch, Andreas; Frank, Regine

2015-11-23

We report the theoretical analysis for tuning the quantum efficiency of solid state random lasers. Vollhardt-Wölfle theory of photonic transport in disordered non-conserving and open random media, is coupled to lasing dynamics and solved positionally dependent. The interplay of non-linearity and homogeneous non-radiative frequency conversion by means of a Stokes-shift leads to a reduction of the quantum efficiency of the random laser. At the threshold a strong decrease of the spot-size in the stationary state is found due to the increase of non-radiative losses. The coherently emitted photon number per unit of modal surface is also strongly reduced. This result allows for the conclusion that Stokes-shifts are not sufficient to explain confined and extended mode regimes.

Tree tensor network approach to simulating Shor's algorithm

NASA Astrophysics Data System (ADS)

Dumitrescu, Eugene

2017-12-01

Constructively simulating quantum systems furthers our understanding of qualitative and quantitative features which may be analytically intractable. In this paper, we directly simulate and explore the entanglement structure present in the paradigmatic example for exponential quantum speedups: Shor's algorithm. To perform our simulation, we construct a dynamic tree tensor network which manifestly captures two salient circuit features for modular exponentiation. These are the natural two-register bipartition and the invariance of entanglement with respect to permutations of the top-register qubits. Our construction help identify the entanglement entropy properties, which we summarize by a scaling relation. Further, the tree network is efficiently projected onto a matrix product state from which we efficiently execute the quantum Fourier transform. Future simulation of quantum information states with tensor networks exploiting circuit symmetries is discussed.

Non-Markovian generalization of the Lindblad theory of open quantum systems

NASA Astrophysics Data System (ADS)

Breuer, Heinz-Peter

2007-02-01

A systematic approach to the non-Markovian quantum dynamics of open systems is given by the projection operator techniques of nonequilibrium statistical mechanics. Combining these methods with concepts from quantum information theory and from the theory of positive maps, we derive a class of correlated projection superoperators that take into account in an efficient way statistical correlations between the open system and its environment. The result is used to develop a generalization of the Lindblad theory to the regime of highly non-Markovian quantum processes in structured environments.

Small slot waveguide rings for on-chip quantum optical circuits.

PubMed

Rotenberg, Nir; Türschmann, Pierre; Haakh, Harald R; Martin-Cano, Diego; Götzinger, Stephan; Sandoghdar, Vahid

2017-03-06

Nanophotonic interfaces between single emitters and light promise to enable new quantum optical technologies. Here, we use a combination of finite element simulations and analytic quantum theory to investigate the interaction of various quantum emitters with slot-waveguide rings. We predict that for rings with radii as small as 1.44 μm, with a Q-factor of 27,900, near-unity emitter-waveguide coupling efficiencies and emission enhancements on the order of 1300 can be achieved. By tuning the ring geometry or introducing losses, we show that realistic emitter-ring systems can be made to be either weakly or strongly coupled, so that we can observe Rabi oscillations in the decay dynamics even for micron-sized rings. Moreover, we demonstrate that slot waveguide rings can be used to directionally couple emission, again with near-unity efficiency. Our results pave the way for integrated solid-state quantum circuits involving various emitters.

Comparative study on stained InGaAs quantum wells for high-speed optical-interconnect VCSELs

NASA Astrophysics Data System (ADS)

Li, Hui; Jia, Xiaowei

2018-05-01

The gain-carrier characteristics of InGaAs quantum well for 980 nm high-speed, energy-efficient vertical-cavity surface-emitting lasers are investigated. We specially studied the potentially InGaAs quantum well designs can be used for the active region of energy-efficient, temperature-stable 980-nm VCSEL, which introduced a quantum well gain peak wavelength-to-cavity resonance wavelength offset to improve the dynamic performance at high operation temperature. Several candidate quantum wells are being compared in theory and measurement. We found that ∼5 nm InGaAs QW with ∼6 nm barrier thickness is suitable for the active region of high-speed optical interconnect 980 nm VCSELs, and no significant improvement in the 20% range of In content of InGaAs QWs. The results are useful for next generation green photonic device design.

Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

PubMed

Greene, Samuel M; Batista, Victor S

2017-09-12

We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

Efficient carrier relaxation and fast carrier recombination of N-polar InGaN/GaN light emitting diodes

NASA Astrophysics Data System (ADS)

Feng, Shih-Wei; Liao, Po-Hsun; Leung, Benjamin; Han, Jung; Yang, Fann-Wei; Wang, Hsiang-Chen

2015-07-01

Based on quantum efficiency and time-resolved electroluminescence measurements, the effects of carrier localization and quantum-confined Stark effect (QCSE) on carrier transport and recombination dynamics of Ga- and N-polar InGaN/GaN light-emitting diodes (LEDs) are reported. The N-polar LED exhibits shorter ns-scale response, rising, delay, and recombination times than the Ga-polar one does. Stronger carrier localization and the combined effects of suppressed QCSE and electric field and lower potential barrier acting upon the forward bias in an N-polar LED provide the advantages of more efficient carrier relaxation and faster carrier recombination. By optimizing growth conditions to enhance the radiative recombination, the advantages of more efficient carrier relaxation and faster carrier recombination in a competitive performance N-polar LED can be realized for applications of high-speed flash LEDs. The research results provide important information for carrier transport and recombination dynamics of an N-polar InGaN/GaN LED.

Efficient carrier relaxation and fast carrier recombination of N-polar InGaN/GaN light emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Shih-Wei, E-mail: swfeng@nuk.edu.tw; Liao, Po-Hsun; Leung, Benjamin

2015-07-28

Based on quantum efficiency and time-resolved electroluminescence measurements, the effects of carrier localization and quantum-confined Stark effect (QCSE) on carrier transport and recombination dynamics of Ga- and N-polar InGaN/GaN light-emitting diodes (LEDs) are reported. The N-polar LED exhibits shorter ns-scale response, rising, delay, and recombination times than the Ga-polar one does. Stronger carrier localization and the combined effects of suppressed QCSE and electric field and lower potential barrier acting upon the forward bias in an N-polar LED provide the advantages of more efficient carrier relaxation and faster carrier recombination. By optimizing growth conditions to enhance the radiative recombination, the advantagesmore » of more efficient carrier relaxation and faster carrier recombination in a competitive performance N-polar LED can be realized for applications of high-speed flash LEDs. The research results provide important information for carrier transport and recombination dynamics of an N-polar InGaN/GaN LED.« less

Quantum Dynamics Study of the Potential Energy Minima Effect on Energy Efficiency for the F- + CH3Cl → FCH3 + Cl- Reaction.

PubMed

Li, Yida; Wang, Yuping; Wang, Dunyou

2017-04-13

The Polanyi rules on the energy efficiency on reactivity are summarized solely from the locations of barriers on the potential energy surfaces. Here, our quantum dynamics study for the F - + CH 3 Cl → FCH 3 + Cl - reaction shows that the two potential energy minima in the entrance channel on the potential energy surface play an essential role in energy efficiency on reactivity. The reactivity of this reaction is dominated by the low collision energies where two distinctive reaction mechanisms involve the two minima in the entrance channel. Overall, the Cl-CH 3 stretching motion and C-H 3 umbrella motion both are more efficient than the translational motion in promoting this reaction. Although this reaction has a negative energy barrier, our study shows that it is the minima in the entrance channel, together with the energy barrier relative to these minima, that determine the energy efficacy on reactivity.

Real-time dynamics of lattice gauge theories with a few-qubit quantum computer

NASA Astrophysics Data System (ADS)

Martinez, Esteban A.; Muschik, Christine A.; Schindler, Philipp; Nigg, Daniel; Erhard, Alexander; Heyl, Markus; Hauke, Philipp; Dalmonte, Marcello; Monz, Thomas; Zoller, Peter; Blatt, Rainer

2016-06-01

Gauge theories are fundamental to our understanding of interactions between the elementary constituents of matter as mediated by gauge bosons. However, computing the real-time dynamics in gauge theories is a notorious challenge for classical computational methods. This has recently stimulated theoretical effort, using Feynman’s idea of a quantum simulator, to devise schemes for simulating such theories on engineered quantum-mechanical devices, with the difficulty that gauge invariance and the associated local conservation laws (Gauss laws) need to be implemented. Here we report the experimental demonstration of a digital quantum simulation of a lattice gauge theory, by realizing (1 + 1)-dimensional quantum electrodynamics (the Schwinger model) on a few-qubit trapped-ion quantum computer. We are interested in the real-time evolution of the Schwinger mechanism, describing the instability of the bare vacuum due to quantum fluctuations, which manifests itself in the spontaneous creation of electron-positron pairs. To make efficient use of our quantum resources, we map the original problem to a spin model by eliminating the gauge fields in favour of exotic long-range interactions, which can be directly and efficiently implemented on an ion trap architecture. We explore the Schwinger mechanism of particle-antiparticle generation by monitoring the mass production and the vacuum persistence amplitude. Moreover, we track the real-time evolution of entanglement in the system, which illustrates how particle creation and entanglement generation are directly related. Our work represents a first step towards quantum simulation of high-energy theories using atomic physics experiments—the long-term intention is to extend this approach to real-time quantum simulations of non-Abelian lattice gauge theories.

Polynomial-time quantum algorithm for the simulation of chemical dynamics

PubMed Central

Kassal, Ivan; Jordan, Stephen P.; Love, Peter J.; Mohseni, Masoud; Aspuru-Guzik, Alán

2008-01-01

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born–Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and measurement of arbitrary states on a quantum computer is inefficient, here we demonstrate how to prepare states of chemical interest efficiently. We also show how to efficiently obtain chemically relevant observables, such as state-to-state transition probabilities and thermal reaction rates. Quantum computers using these techniques could outperform current classical computers with 100 qubits. PMID:19033207

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

Instability of quantum equilibrium in Bohm's dynamics

PubMed Central

Colin, Samuel; Valentini, Antony

2014-01-01

We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation. PMID:25383020

Self-consistent projection operator theory in nonlinear quantum optical systems: A case study on degenerate optical parametric oscillators

NASA Astrophysics Data System (ADS)

Degenfeld-Schonburg, Peter; Navarrete-Benlloch, Carlos; Hartmann, Michael J.

2015-05-01

Nonlinear quantum optical systems are of paramount relevance for modern quantum technologies, as well as for the study of dissipative phase transitions. Their nonlinear nature makes their theoretical study very challenging and hence they have always served as great motivation to develop new techniques for the analysis of open quantum systems. We apply the recently developed self-consistent projection operator theory to the degenerate optical parametric oscillator to exemplify its general applicability to quantum optical systems. We show that this theory provides an efficient method to calculate the full quantum state of each mode with a high degree of accuracy, even at the critical point. It is equally successful in describing both the stationary limit and the dynamics, including regions of the parameter space where the numerical integration of the full problem is significantly less efficient. We further develop a Gaussian approach consistent with our theory, which yields sensibly better results than the previous Gaussian methods developed for this system, most notably standard linearization techniques.

Dynamics and manipulation of entanglement in coupled harmonic systems with many degrees of freedom

NASA Astrophysics Data System (ADS)

Plenio, M. B.; Hartley, J.; Eisert, J.

2004-03-01

We study the entanglement dynamics of a system consisting of a large number of coupled harmonic oscillators in various configurations and for different types of nearest-neighbour interactions. For a one-dimensional chain, we provide compact analytical solutions and approximations to the dynamical evolution of the entanglement between spatially separated oscillators. Key properties such as the speed of entanglement propagation, the maximum amount of transferred entanglement and the efficiency for the entanglement transfer are computed. For harmonic oscillators coupled by springs, corresponding to a phonon model, we observe a non-monotonic transfer efficiency in the initially prepared amount of entanglement, i.e. an intermediate amount of initial entanglement is transferred with the highest efficiency. In contrast, within the framework of the rotating-wave approximation (as appropriate, e.g. in quantum optical settings) one finds a monotonic behaviour. We also study geometrical configurations that are analogous to quantum optical devices (such as beamsplitters and interferometers) and observe characteristic differences when initially thermal or squeezed states are entering these devices. We show that these devices may be switched on and off by changing the properties of an individual oscillator. They may therefore be used as building blocks of large fixed and pre-fabricated but programmable structures in which quantum information is manipulated through propagation. We discuss briefly possible experimental realizations of systems of interacting harmonic oscillators in which these effects may be confirmed experimentally.

Intermediate-band dynamics of quantum dots solar cell in concentrator photovoltaic modules

PubMed Central

Sogabe, Tomah; Shoji, Yasushi; Ohba, Mitsuyoshi; Yoshida, Katsuhisa; Tamaki, Ryo; Hong, Hwen-Fen; Wu, Chih-Hung; Kuo, Cherng-Tsong; Tomić, Stanko; Okada, Yoshitaka

2014-01-01

We report for the first time a successful fabrication and operation of an InAs/GaAs quantum dot based intermediate band solar cell concentrator photovoltaic (QD-IBSC-CPV) module to the IEC62108 standard with recorded power conversion efficiency of 15.3%. Combining the measured experimental results at Underwriters Laboratory (UL®) licensed testing laboratory with theoretical simulations, we confirmed that the operational characteristics of the QD-IBSC-CPV module are a consequence of the carrier dynamics via the intermediate-band at room temperature. PMID:24762433

Universality of measurements on quantum markets

NASA Astrophysics Data System (ADS)

Pakuła, Ireneusz; Piotrowski, Edward W.; Sładkowski, Jan

2007-11-01

Two of the authors have recently discussed financial markets operated by quantum computers-quantum market games. These “new markets” cannot by themselves create opportunity of making extraordinary profits or multiplying goods, but they may cause the dynamism of transaction which would result in more effective markets and capital flow into hands of the most efficient traders. Here we focus upon the problem of universality of measurement in quantum market games offering a possible method of implementation if the necessary technologies would be available. It can be also used to analyse material commitments that elude description in orthodox game-theoretic terms.

From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H 2O ↔ HX + OH [X = F, Cl, and O( 3P)] Reactions

DOE PAGES

Li, Jun; Jiang, Bin; Song, Hongwei; ...

2015-04-17

Here, we survey the recent advances in theoretical understanding of quantum state resolved dynamics, using the title reactions as examples. It is shown that the progress was made possible by major developments in two areas. First, an accurate analytical representation of many high-level ab initio points over a large configuration space can now be made with high fidelity and the necessary permutation symmetry. The resulting full-dimensional global potential energy surfaces enable dynamical calculations using either quasi-classical trajectory or more importantly quantum mechanical methods. The second advance is the development of accurate and efficient quantum dynamical methods, which are necessary formore » providing a reliable treatment of quantum effects in reaction dynamics such as tunneling, resonances, and zero-point energy. The powerful combination of the two advances has allowed us to achieve a quantitatively accurate characterization of the reaction dynamics, which unveiled rich dynamical features such as steric steering, strong mode specificity, and bond selectivity. The dependence of reactivity on reactant modes can be rationalized by the recently proposed sudden vector projection model, which attributes the mode specificity and bond selectivity to the coupling of reactant modes with the reaction coordinate at the relevant transition state. The deeper insights provided by these theoretical studies have advanced our understanding of reaction dynamics to a new level.« less

Effect of the nitrogen incorporation and fast carrier dynamics in (In,Ga)AsN/GaP self-assembled quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gauthier, J.-P.; Almosni, S.; Léger, Y.

We report on the structural and optical properties of (In,Ga)AsN self-assembled quantum dots grown on GaP (001) substrate. A comparison with nitrogen free (In,Ga)As system is presented, showing a clear modification of growth mechanisms and a significant shift of the photoluminescence spectrum. Low temperature carrier recombination dynamics is studied by time-resolved photoluminescence, highlighting a drastic reduction of the characteristic decay-time when nitrogen is incorporated in the quantum dots. Room temperature photoluminescence is observed at 840 nm. These results reveal the potential of (In,Ga)AsN as an efficient active medium monolithically integrated on Si for laser applications.

Suppression of Zeeman gradients by nuclear polarization in double quantum dots.

PubMed

Frolov, S M; Danon, J; Nadj-Perge, S; Zuo, K; van Tilburg, J W W; Pribiag, V S; van den Berg, J W G; Bakkers, E P A M; Kouwenhoven, L P

2012-12-07

We use electric dipole spin resonance to measure dynamic nuclear polarization in InAs nanowire quantum dots. The resonance shifts in frequency when the system transitions between metastable high and low current states, indicating the presence of nuclear polarization. We propose that the low and the high current states correspond to different total Zeeman energy gradients between the two quantum dots. In the low current state, dynamic nuclear polarization efficiently compensates the Zeeman gradient due to the g-factor mismatch, resulting in a suppressed total Zeeman gradient. We present a theoretical model of electron-nuclear feedback that demonstrates a fixed point in nuclear polarization for nearly equal Zeeman splittings in the two dots and predicts a narrowed hyperfine gradient distribution.

Double-quantum homonuclear rotary resonance: Efficient dipolar recovery in magic-angle spinning nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Nielsen, N. C.; Bildsøe, H.; Jakobsen, H. J.; Levitt, M. H.

1994-08-01

We describe an efficient method for the recovery of homonuclear dipole-dipole interactions in magic-angle spinning NMR. Double-quantum homonuclear rotary resonance (2Q-HORROR) is established by fulfilling the condition ωr=2ω1, where ωr is the sample rotation frequency and ω1 is the nutation frequency around an applied resonant radio frequency (rf) field. This resonance can be used for double-quantum filtering and measurement of homonuclear dipolar interactions in the presence of magic-angle spinning. The spin dynamics depend only weakly on crystallite orientation allowing good performance for powder samples. Chemical shift effects are suppressed to zeroth order. The method is demonstrated for singly and doubly 13C labeled L-alanine.

Ultrafast exciton dynamics and light-driven H2 evolution in colloidal semiconductor nanorods and Pt-tipped nanorods.

PubMed

Wu, Kaifeng; Zhu, Haiming; Lian, Tianquan

2015-03-17

Colloidal quantum confined one-dimensional (1D) semiconductor nanorods (NRs) and related semiconductor-metal heterostructures are promising new materials for efficient solar-to-fuel conversion because of their unique physical and chemical properties. NRs can simultaneously exhibit quantum confinement effects in the radial direction and bulk like carrier transport in the axial direction. The former implies that concepts well-established in zero-dimensional quantum dots, such as size-tunable energetics and wave function engineering through band alignment in heterostructures, can also be applied to NRs; while the latter endows NRs with fast carrier transport to achieve long distance charge separation. Selective growth of catalytic metallic nanoparticles, such as Pt, at the tips of NRs provides convenient routes to multicomponent heterostructures with photocatalytic capabilities and controllable charge separation distances. The design and optimization of such materials for efficient solar-to-fuel conversion require the understanding of exciton and charge carrier dynamics. In this Account, we summarize our recent studies of ultrafast charge separation and recombination kinetics and their effects on steady-state photocatalytic efficiencies of colloidal CdS and CdSe/CdS NRs and related NR-Pt heterostructures. After a brief introduction of their electronic structure, we discuss exciton dynamics of CdS NRs. By transient absorption and time-resolved photoluminescence decay, it is shown that although the conduction band electrons are long-lived, photogenerated holes in CdS NRs are trapped on an ultrafast time scale (∼0.7 ps), which forms localized excitons due to strong Coulomb interaction in 1D NRs. In quasi-type II CdSe/CdS dot-in-rod NRs, a large valence band offset drives the ultrafast localization of holes to the CdSe core, and the competition between this process and ultrafast hole trapping on a CdS rod leads to three types of exciton species with distinct spatial distributions. The effect of the exciton dynamics on photoreduction reactions is illustrated using methyl viologen (MV(2+)) as a model electron acceptor. The steady-state MV(2+) photoreduction quantum yield of CdSe/CdS dot-in-rod NRs approaches unity under rod excitation, much larger than CdSe QDs and CdSe/CdS core/shell QDs. Detailed time-resolved studies show that in quasi-type II CdSe/CdS NRs and type II ZnSe/CdS NRs strong quantum confinement in the radial direction facilitates fast electron transfer and hole removal, whereas the fast carrier mobility along the axial direction enables long distance charge separation and slow charge recombination, which is essential for efficient MV(2+) photoreduction. The NR/MV(2+) relay system can be coupled to Pt nanoparticles in solution for light-driven H2 generation. Alternatively, Pt-tipped CdS and CdSe/CdS NRs provide fully integrated all inorganic systems for light-driven H2 generation. In CdS-Pt and CdSe/CdS-Pt hetero-NRs, ultrafast hole trapping on the CdS rod surface or in CdSe core enables efficient electron transfer from NRs to Pt tips by suppressing hole and energy transfer. It is shown that the quantum yields of photodriven H2 generation using these heterostructures correlate well with measured hole transfer rates from NRs to sacrificial donors, revealing that hole removal is the key efficiency-limiting step. These findings provide important insights for designing more efficient quantum confined NR and NR-Pt based systems for solar-to-fuel conversion.

Perspective: Memcomputing: Leveraging memory and physics to compute efficiently

NASA Astrophysics Data System (ADS)

Di Ventra, Massimiliano; Traversa, Fabio L.

2018-05-01

It is well known that physical phenomena may be of great help in computing some difficult problems efficiently. A typical example is prime factorization that may be solved in polynomial time by exploiting quantum entanglement on a quantum computer. There are, however, other types of (non-quantum) physical properties that one may leverage to compute efficiently a wide range of hard problems. In this perspective, we discuss how to employ one such property, memory (time non-locality), in a novel physics-based approach to computation: Memcomputing. In particular, we focus on digital memcomputing machines (DMMs) that are scalable. DMMs can be realized with non-linear dynamical systems with memory. The latter property allows the realization of a new type of Boolean logic, one that is self-organizing. Self-organizing logic gates are "terminal-agnostic," namely, they do not distinguish between the input and output terminals. When appropriately assembled to represent a given combinatorial/optimization problem, the corresponding self-organizing circuit converges to the equilibrium points that express the solutions of the problem at hand. In doing so, DMMs take advantage of the long-range order that develops during the transient dynamics. This collective dynamical behavior, reminiscent of a phase transition, or even the "edge of chaos," is mediated by families of classical trajectories (instantons) that connect critical points of increasing stability in the system's phase space. The topological character of the solution search renders DMMs robust against noise and structural disorder. Since DMMs are non-quantum systems described by ordinary differential equations, not only can they be built in hardware with the available technology, they can also be simulated efficiently on modern classical computers. As an example, we will show the polynomial-time solution of the subset-sum problem for the worst cases, and point to other types of hard problems where simulations of DMMs' equations of motion on classical computers have already demonstrated substantial advantages over traditional approaches. We conclude this article by outlining further directions of study.

Observation of the Mott insulator to superfluid crossover of a driven-dissipative Bose-Hubbard system

PubMed Central

Tomita, Takafumi; Nakajima, Shuta; Danshita, Ippei; Takasu, Yosuke; Takahashi, Yoshiro

2017-01-01

Dissipation is ubiquitous in nature and plays a crucial role in quantum systems such as causing decoherence of quantum states. Recently, much attention has been paid to an intriguing possibility of dissipation as an efficient tool for the preparation and manipulation of quantum states. We report the realization of successful demonstration of a novel role of dissipation in a quantum phase transition using cold atoms. We realize an engineered dissipative Bose-Hubbard system by introducing a controllable strength of two-body inelastic collision via photoassociation for ultracold bosons in a three-dimensional optical lattice. In the dynamics subjected to a slow ramp-down of the optical lattice, we find that strong on-site dissipation favors the Mott insulating state: The melting of the Mott insulator is delayed, and the growth of the phase coherence is suppressed. The controllability of the dissipation is highlighted by quenching the dissipation, providing a novel method for investigating a quantum many-body state and its nonequilibrium dynamics. PMID:29291246

Thermal baths as quantum resources: more friends than foes?

NASA Astrophysics Data System (ADS)

Kurizki, Gershon; Shahmoon, Ephraim; Zwick, Analia

2015-12-01

In this article we argue that thermal reservoirs (baths) are potentially useful resources in processes involving atoms interacting with quantized electromagnetic fields and their applications to quantum technologies. One may try to suppress the bath effects by means of dynamical control, but such control does not always yield the desired results. We wish instead to take advantage of bath effects, that do not obliterate ‘quantumness’ in the system-bath compound. To this end, three possible approaches have been pursued by us. (i) Control of a quantum system faster than the correlation time of the bath to which it couples: such control allows us to reveal quasi-reversible/coherent dynamical phenomena of quantum open systems, manifest by the quantum Zeno or anti-Zeno effects (QZE or AZE, respectively). Dynamical control methods based on the QZE are aimed not only at protecting the quantumness of the system, but also diagnosing the bath spectra or transferring quantum information via noisy media. By contrast, AZE-based control is useful for fast cooling of thermalized quantum systems. (ii) Engineering the coupling of quantum systems to selected bath modes: this approach, based on field-atom coupling control in cavities, waveguides and photonic band structures, allows one to drastically enhance the strength and range of atom-atom coupling through the mediation of the selected bath modes. More dramatically, it allows us to achieve bath-induced entanglement that may appear paradoxical if one takes the conventional view that coupling to baths destroys quantumness. (iii) Engineering baths with appropriate non-flat spectra: this approach is a prerequisite for the construction of the simplest and most efficient quantum heat machines (engines and refrigerators). We may thus conclude that often thermal baths are ‘more friends than foes’ in quantum technologies.

Noisy metrology: a saturable lower bound on quantum Fisher information

NASA Astrophysics Data System (ADS)

Yousefjani, R.; Salimi, S.; Khorashad, A. S.

2017-06-01

In order to provide a guaranteed precision and a more accurate judgement about the true value of the Cramér-Rao bound and its scaling behavior, an upper bound (equivalently a lower bound on the quantum Fisher information) for precision of estimation is introduced. Unlike the bounds previously introduced in the literature, the upper bound is saturable and yields a practical instruction to estimate the parameter through preparing the optimal initial state and optimal measurement. The bound is based on the underling dynamics, and its calculation is straightforward and requires only the matrix representation of the quantum maps responsible for encoding the parameter. This allows us to apply the bound to open quantum systems whose dynamics are described by either semigroup or non-semigroup maps. Reliability and efficiency of the method to predict the ultimate precision limit are demonstrated by three main examples.

Effects of proton irradiation on luminescence and carrier dynamics of self-assembled III-V quatum dots

NASA Technical Reports Server (NTRS)

Leon, R.; Marcinkevicius, S.; Siegert, J.; Magness, B.; Taylor, W.; Lobo, C.

2002-01-01

The effects of proton irradiation (1.5 MeV) on photoluminescence intensities and carrier dynamics were compared between III-V quantum dots and similar quantum well structures. A significant enhancement in radiation tolerance is seen with three-dimensional quantum confinement. Measurements were carried out in different quantum dot (QD) structures, varying in material (InGaAs/GaAs and InAlAs/AlGaAs), QD surface density (4x10^8 to 3x10'^10 cm^-2), and substrate orientation [(100) and (311) B]. Similar trends were observed for all QD samples. A slight increase in PL emission after low to intermediate proton doses, are also observed in InGaAs/GaAs (100) QD structures. The latter is explained in terms of more efficient carrier transfer from the wetting layer via radiation-induced defects.

Nonlinear spectroscopy of trapped ions

NASA Astrophysics Data System (ADS)

Schlawin, Frank; Gessner, Manuel; Mukamel, Shaul; Buchleitner, Andreas

2014-08-01

Nonlinear spectroscopy employs a series of laser pulses to interrogate dynamics in large interacting many-body systems, and it has become a highly successful method for experiments in chemical physics. Current quantum optical experiments approach system sizes and levels of complexity that require the development of efficient techniques to assess spectral and dynamical features with scalable experimental overhead. However, established methods from optical spectroscopy of macroscopic ensembles cannot be applied straightforwardly to few-atom systems. Based on the ideas proposed in M. Gessner et al., (arXiv:1312.3365), we develop a diagrammatic approach to construct nonlinear measurement protocols for controlled quantum systems, and we discuss experimental implementations with trapped ion technology in detail. These methods, in combination with distinct features of ultracold-matter systems, allow us to monitor and analyze excitation dynamics in both the electronic and vibrational degrees of freedom. They are independent of system size, and they can therefore reliably probe systems in which, e.g., quantum state tomography becomes prohibitively expensive. We propose signals that can probe steady-state currents, detect the influence of anharmonicities on phonon transport, and identify signatures of chaotic dynamics near a quantum phase transition in an Ising-type spin chain.

Quantum Monte Carlo tunneling from quantum chemistry to quantum annealing

NASA Astrophysics Data System (ADS)

Mazzola, Guglielmo; Smelyanskiy, Vadim N.; Troyer, Matthias

2017-10-01

Quantum tunneling is ubiquitous across different fields, from quantum chemical reactions and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for high-dimensional systems, quantum tunneling also shows up in quantum Monte Carlo (QMC) simulations, which aim to simulate quantum statistics with resources growing only polynomially with the system size. Here we extend the recent results obtained for quantum spin models [Phys. Rev. Lett. 117, 180402 (2016), 10.1103/PhysRevLett.117.180402], and we study continuous-variable models for proton transfer reactions. We demonstrate that QMC simulations efficiently recover the scaling of ground-state tunneling rates due to the existence of an instanton path, which always connects the reactant state with the product. We discuss the implications of our results in the context of quantum chemical reactions and quantum annealing, where quantum tunneling is expected to be a valuable resource for solving combinatorial optimization problems.

Dynamics of Photoexcited State of Semiconductor Quantum Dots

NASA Astrophysics Data System (ADS)

Trivedi, Dhara J.

In this thesis, non-adiabatic molecular dynamics (NAMD) of excited states in semiconductor quantum dots are investigated. Nanoscale systems provide important opportunities for theory and computation for research because the experimental tools often provide an incomplete picture of the structure and/or function of nanomaterials, and theory can often fill in missing features crucial in understanding what is being measured. The simulation of NAMD is an indispensable tool for understanding complex ultrafast photoinduced processes such as charge and energy transfer, thermal relaxation, and charge recombination. Based on the state-of-the-art ab initio approaches in both the energy and time domains, the thesis presents a comprehensive discussion of the dynamical processes in quantum dots, ranging from the initial photon absorption to the final emission. We investigate the energy relaxation and transfer rates in pure and surface passivated quantum dots of different sizes. The study establishes the fundamental mechanisms of the electron and hole relaxation processes with and without hole traps. We develop and implement more accurate and efficient methods for NAMD. These methods are advantageous over the traditional ones when one encounters classically forbidden transitions. We also explore the effect of decoherence and non-adiabatic couplings on the dynamics. The results indicate significant influence on the accuracy and related computational cost of the simulated dynamics.

Versatile microwave-driven trapped ion spin system for quantum information processing

PubMed Central

Piltz, Christian; Sriarunothai, Theeraphot; Ivanov, Svetoslav S.; Wölk, Sabine; Wunderlich, Christof

2016-01-01

Using trapped atomic ions, we demonstrate a tailored and versatile effective spin system suitable for quantum simulations and universal quantum computation. By simply applying microwave pulses, selected spins can be decoupled from the remaining system and, thus, can serve as a quantum memory, while simultaneously, other coupled spins perform conditional quantum dynamics. Also, microwave pulses can change the sign of spin-spin couplings, as well as their effective strength, even during the course of a quantum algorithm. Taking advantage of the simultaneous long-range coupling between three spins, a coherent quantum Fourier transform—an essential building block for many quantum algorithms—is efficiently realized. This approach, which is based on microwave-driven trapped ions and is complementary to laser-based methods, opens a new route to overcoming technical and physical challenges in the quest for a quantum simulator and a quantum computer. PMID:27419233

Non-Markovian quantum processes: Complete framework and efficient characterization

NASA Astrophysics Data System (ADS)

Pollock, Felix A.; Rodríguez-Rosario, César; Frauenheim, Thomas; Paternostro, Mauro; Modi, Kavan

2018-01-01

Currently, there is no systematic way to describe a quantum process with memory solely in terms of experimentally accessible quantities. However, recent technological advances mean we have control over systems at scales where memory effects are non-negligible. The lack of such an operational description has hindered advances in understanding physical, chemical, and biological processes, where often unjustified theoretical assumptions are made to render a dynamical description tractable. This has led to theories plagued with unphysical results and no consensus on what a quantum Markov (memoryless) process is. Here, we develop a universal framework to characterize arbitrary non-Markovian quantum processes. We show how a multitime non-Markovian process can be reconstructed experimentally, and that it has a natural representation as a many-body quantum state, where temporal correlations are mapped to spatial ones. Moreover, this state is expected to have an efficient matrix-product-operator form in many cases. Our framework constitutes a systematic tool for the effective description of memory-bearing open-system evolutions.

Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

NASA Astrophysics Data System (ADS)

Tisdale, William A., III

Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots. A TR-SHG study of these electronically-coupled quantum-dot films reveals temperature-activated cooling of hot charge carriers and coherent excitation of a previously-unidentified surface optical phonon. Finally, I report the first experimental observation of ultrafast electron transfer from the higher excited states of a colloidal quantum dot (PbSe) to delocalized conduction band states of a widely-used electron acceptor (TiO2). The electric field resulting from ultrafast (<50fs) separation of charge carriers across the PbSe/TiO2(110) interface excites coherent vibration of the TiO2 surface atoms, whose collective motions can be followed in real time.

Dynamical photo-induced electronic properties of molecular junctions

NASA Astrophysics Data System (ADS)

Beltako, K.; Michelini, F.; Cavassilas, N.; Raymond, L.

2018-03-01

Nanoscale molecular-electronic devices and machines are emerging as promising functional elements, naturally flexible and efficient, for next-generation technologies. A deeper understanding of carrier dynamics in molecular junctions is expected to benefit many fields of nanoelectronics and power devices. We determine time-resolved charge current flowing at the donor-acceptor interface in molecular junctions connected to metallic electrodes by means of quantum transport simulations. The current is induced by the interaction of the donor with a Gaussian-shape femtosecond laser pulse. Effects of the molecular internal coupling, metal-molecule tunneling, and light-donor coupling on photocurrent are discussed. We then define the time-resolved local density of states which is proposed as an efficient tool to describe the absorbing molecule in contact with metallic electrodes. Non-equilibrium reorganization of hybridized molecular orbitals through the light-donor interaction gives rise to two phenomena: the dynamical Rabi shift and the appearance of Floquet-like states. Such insights into the dynamical photoelectronic structure of molecules are of strong interest for ultrafast spectroscopy and open avenues toward the possibility of analyzing and controlling the internal properties of quantum nanodevices with pump-push photocurrent spectroscopy.

Stochastic wave-function simulation of irreversible emission processes for open quantum systems in a non-Markovian environment

NASA Astrophysics Data System (ADS)

Polyakov, Evgeny A.; Rubtsov, Alexey N.

2018-02-01

When conducting the numerical simulation of quantum transport, the main obstacle is a rapid growth of the dimension of entangled Hilbert subspace. The Quantum Monte Carlo simulation techniques, while being capable of treating the problems of high dimension, are hindered by the so-called "sign problem". In the quantum transport, we have fundamental asymmetry between the processes of emission and absorption of environment excitations: the emitted excitations are rapidly and irreversibly scattered away. Whereas only a small part of these excitations is absorbed back by the open subsystem, thus exercising the non-Markovian self-action of the subsystem onto itself. We were able to devise a method for the exact simulation of the dominant quantum emission processes, while taking into account the small backaction effects in an approximate self-consistent way. Such an approach allows us to efficiently conduct simulations of real-time dynamics of small quantum subsystems immersed in non-Markovian bath for large times, reaching the quasistationary regime. As an example we calculate the spatial quench dynamics of Kondo cloud for a bozonized Kodno impurity model.

Fast Implementation of Quantum Phase Gates and Creation of Cluster States via Transitionless Quantum Driving

NASA Astrophysics Data System (ADS)

Zhang, Chun-Ling; Liu, Wen-Wu

2018-05-01

In this paper, combining transitionless quantum driving and quantum Zeno dynamics, we propose an efficient scheme to fast implement a two-qubit quantum phase gate which can be used to generate cluster state of atoms trapped in distant cavities. The influence of various of various error sources including spontaneous emission and photon loss on the fidelity is analyzed via numerical simulation. The results show that this scheme not only takes less time than adiabatic scheme but also is not sensitive to both error sources. Additionally, a creation of N-atom cluster states is put forward as a typical example of the applications of the phase gates.

Spectroscopic investigation of alloyed quantum dot-based FRET to cresyl violet dye.

PubMed

Kotresh, M G; Adarsh, K S; Shivkumar, M A; Mulimani, B G; Savadatti, M I; Inamdar, S R

2016-05-01

Quantum dots (QDs), bright luminescent semiconductor nanoparticles, have found numerous applications ranging from optoelectronics to bioimaging. Here, we present a systematic investigation of fluorescence resonance energy transfer (FRET) from hydrophilic ternary alloyed quantum dots (CdSeS/ZnS) to cresyl violet dye with a view to explore the effect of composition of QD donors on FRET efficiency. Fluorescence emission of QD is controlled by varying the composition of QD without altering the particle size. The results show that quantum yield of the QDs increases with increase in the emission wavelength. The FRET parameters such as spectral overlap J(λ), Förster distance R0, intermolecular distance (r), rate of energy transfer k(T)(r), and transfer efficiency (E) are determined by employing both steady-state and time-resolved fluorescence spectroscopy. Additionally, dynamic quenching is noticed to occur in the present FRET system. Stern-Volmer (K(D)) and bimolecular quenching constants (k(q)) are determined from the Stern-Volmer plot. It is observed that the transfer efficiency follows a linear dependence on the spectral overlap and the quantum yield of the donor as predicted by the Förster theory upon changing the composition of the QD. Copyright © 2015 John Wiley & Sons, Ltd.

Designing quantum information processing via structural physical approximation.

PubMed

Bae, Joonwoo

2017-10-01

In quantum information processing it may be possible to have efficient computation and secure communication beyond the limitations of classical systems. In a fundamental point of view, however, evolution of quantum systems by the laws of quantum mechanics is more restrictive than classical systems, identified to a specific form of dynamics, that is, unitary transformations and, consequently, positive and completely positive maps to subsystems. This also characterizes classes of disallowed transformations on quantum systems, among which positive but not completely maps are of particular interest as they characterize entangled states, a general resource in quantum information processing. Structural physical approximation offers a systematic way of approximating those non-physical maps, positive but not completely positive maps, with quantum channels. Since it has been proposed as a method of detecting entangled states, it has stimulated fundamental problems on classifications of positive maps and the structure of Hermitian operators and quantum states, as well as on quantum measurement such as quantum design in quantum information theory. It has developed efficient and feasible methods of directly detecting entangled states in practice, for which proof-of-principle experimental demonstrations have also been performed with photonic qubit states. Here, we present a comprehensive review on quantum information processing with structural physical approximations and the related progress. The review mainly focuses on properties of structural physical approximations and their applications toward practical information applications.

Designing quantum information processing via structural physical approximation

NASA Astrophysics Data System (ADS)

Bae, Joonwoo

2017-10-01

In quantum information processing it may be possible to have efficient computation and secure communication beyond the limitations of classical systems. In a fundamental point of view, however, evolution of quantum systems by the laws of quantum mechanics is more restrictive than classical systems, identified to a specific form of dynamics, that is, unitary transformations and, consequently, positive and completely positive maps to subsystems. This also characterizes classes of disallowed transformations on quantum systems, among which positive but not completely maps are of particular interest as they characterize entangled states, a general resource in quantum information processing. Structural physical approximation offers a systematic way of approximating those non-physical maps, positive but not completely positive maps, with quantum channels. Since it has been proposed as a method of detecting entangled states, it has stimulated fundamental problems on classifications of positive maps and the structure of Hermitian operators and quantum states, as well as on quantum measurement such as quantum design in quantum information theory. It has developed efficient and feasible methods of directly detecting entangled states in practice, for which proof-of-principle experimental demonstrations have also been performed with photonic qubit states. Here, we present a comprehensive review on quantum information processing with structural physical approximations and the related progress. The review mainly focuses on properties of structural physical approximations and their applications toward practical information applications.

Emulation of complex open quantum systems using superconducting qubits

NASA Astrophysics Data System (ADS)

Mostame, Sarah; Huh, Joonsuk; Kreisbeck, Christoph; Kerman, Andrew J.; Fujita, Takatoshi; Eisfeld, Alexander; Aspuru-Guzik, Alán

2017-02-01

With quantum computers being out of reach for now, quantum simulators are alternative devices for efficient and accurate simulation of problems that are challenging to tackle using conventional computers. Quantum simulators are classified into analog and digital, with the possibility of constructing "hybrid" simulators by combining both techniques. Here we focus on analog quantum simulators of open quantum systems and address the limit that they can beat classical computers. In particular, as an example, we discuss simulation of the chlorosome light-harvesting antenna from green sulfur bacteria with over 250 phonon modes coupled to each electronic state. Furthermore, we propose physical setups that can be used to reproduce the quantum dynamics of a standard and multiple-mode Holstein model. The proposed scheme is based on currently available technology of superconducting circuits consist of flux qubits and quantum oscillators.

Open Quantum Walks and Dissipative Quantum Computing

NASA Astrophysics Data System (ADS)

Petruccione, Francesco

2012-02-01

Open Quantum Walks (OQWs) have been recently introduced as quantum Markov chains on graphs [S. Attal, F. Petruccione, C. Sabot, and I. Sinayskiy, E-print: http://hal.archives-ouvertes.fr/hal-00581553/fr/]. The formulation of the OQWs is exclusively based upon the non-unitary dynamics induced by the environment. It will be shown that OQWs are a very useful tool for the formulation of dissipative quantum computing and quantum state preparation. In particular, it will be shown how to implement single qubit gates and the CNOT gate as OQWs on fully connected graphs. Also, OQWS make possible the dissipative quantum state preparation of arbitrary single qubit states and of all two-qubit Bell states. Finally, it will be shown how to reformulate efficiently a discrete time version of dissipative quantum computing in the language of OQWs.

Influence of intra-pigment vibrations on dynamics of photosynthetic exciton.

PubMed

Sato, Yoshihiro; Doolittle, Brian

2014-11-14

We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency.

Controlling the influence of Auger recombination on the performance of quantum-dot light-emitting diodes

PubMed Central

Bae, Wan Ki; Park, Young-Shin; Lim, Jaehoon; Lee, Donggu; Padilha, Lazaro A.; McDaniel, Hunter; Robel, Istvan; Lee, Changhee; Pietryga, Jeffrey M.; Klimov, Victor I.

2013-01-01

Development of light-emitting diodes (LEDs) based on colloidal quantum dots is driven by attractive properties of these fluorophores such as spectrally narrow, tunable emission and facile processibility via solution-based methods. A current obstacle towards improved LED performance is an incomplete understanding of the roles of extrinsic factors, such as non-radiative recombination at surface defects, versus intrinsic processes, such as multicarrier Auger recombination or electron-hole separation due to applied electric field. Here we address this problem with studies that correlate the excited state dynamics of structurally engineered quantum dots with their emissive performance within LEDs. We find that because of significant charging of quantum dots with extra electrons, Auger recombination greatly impacts both LED efficiency and the onset of efficiency roll-off at high currents. Further, we demonstrate two specific approaches for mitigating this problem using heterostructured quantum dots, either by suppressing Auger decay through the introduction of an intermediate alloyed layer, or by using an additional shell that impedes electron transfer into the quantum dot to help balance electron and hole injection. PMID:24157692

Statistical benchmark for BosonSampling

NASA Astrophysics Data System (ADS)

Walschaers, Mattia; Kuipers, Jack; Urbina, Juan-Diego; Mayer, Klaus; Tichy, Malte Christopher; Richter, Klaus; Buchleitner, Andreas

2016-03-01

Boson samplers—set-ups that generate complex many-particle output states through the transmission of elementary many-particle input states across a multitude of mutually coupled modes—promise the efficient quantum simulation of a classically intractable computational task, and challenge the extended Church-Turing thesis, one of the fundamental dogmas of computer science. However, as in all experimental quantum simulations of truly complex systems, one crucial problem remains: how to certify that a given experimental measurement record unambiguously results from enforcing the claimed dynamics, on bosons, fermions or distinguishable particles? Here we offer a statistical solution to the certification problem, identifying an unambiguous statistical signature of many-body quantum interference upon transmission across a multimode, random scattering device. We show that statistical analysis of only partial information on the output state allows to characterise the imparted dynamics through particle type-specific features of the emerging interference patterns. The relevant statistical quantifiers are classically computable, define a falsifiable benchmark for BosonSampling, and reveal distinctive features of many-particle quantum dynamics, which go much beyond mere bunching or anti-bunching effects.

Numerical simulations of loop quantum Bianchi-I spacetimes

NASA Astrophysics Data System (ADS)

Diener, Peter; Joe, Anton; Megevand, Miguel; Singh, Parampreet

2017-05-01

Due to the numerical complexities of studying evolution in an anisotropic quantum spacetime, in comparison to the isotropic models, the physics of loop quantized anisotropic models has remained largely unexplored. In particular, robustness of bounce and the validity of effective dynamics have so far not been established. Our analysis fills these gaps for the case of vacuum Bianchi-I spacetime. To efficiently solve the quantum Hamiltonian constraint we perform an implementation of the Cactus framework which is conventionally used for applications in numerical relativity. Using high performance computing, numerical simulations for a large number of initial states with a wide variety of fluctuations are performed. Big bang singularity is found to be replaced by anisotropic bounces for all the cases. We find that for initial states which are sharply peaked at the late times in the classical regime and bounce at a mean volume much greater than the Planck volume, effective dynamics is an excellent approximation to the underlying quantum dynamics. Departures of the effective dynamics from the quantum evolution appear for the states probing deep Planck volumes. A detailed analysis of the behavior of this departure reveals a non-monotonic and subtle dependence on fluctuations of the initial states. We find that effective dynamics in almost all of the cases underestimates the volume and hence overestimates the curvature at the bounce, a result in synergy with earlier findings in the isotropic case. The expansion and shear scalars are found to be bounded throughout the evolution.

Charge Generation Dynamics in Efficient All-Polymer Solar Cells: Influence of Polymer Packing and Morphology.

PubMed

Gautam, Bhoj R; Lee, Changyeon; Younts, Robert; Lee, Wonho; Danilov, Evgeny; Kim, Bumjoon J; Gundogdu, Kenan

2015-12-23

All-polymer solar cells exhibit rapid progress in power conversion efficiency (PCE) from 2 to 7.7% over the past few years. While this improvement is primarily attributed to efficient charge transport and balanced mobility between the carriers, not much is known about the charge generation dynamics in these systems. Here we measured exciton relaxation and charge separation dynamics using ultrafast spectroscopy in polymer/polymer blends with different molecular packing and morphology. These measurements indicate that preferential face-on configuration with intermixed nanomorphology increases the charge generation efficiency. In fact, there is a direct quantitative correlation between the free charge population in the ultrafast time scales and the external quantum efficiency, suggesting not only the transport but also charge generation is key for the design of high performance all polymer solar cells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herbrych, Jacek W.; Feiguin, Adrian E.; Dagotto, Elbio R.

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limitedmore » to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.« less

Coherence time of over a second in a telecom-compatible quantum memory storage material

NASA Astrophysics Data System (ADS)

Rančić, Miloš; Hedges, Morgan P.; Ahlefeldt, Rose L.; Sellars, Matthew J.

2018-01-01

Quantum memories for light will be essential elements in future long-range quantum communication networks. These memories operate by reversibly mapping the quantum state of light onto the quantum transitions of a material system. For networks, the quantum coherence times of these transitions must be long compared to the network transmission times, approximately 100 ms for a global communication network. Due to a lack of a suitable storage material, a quantum memory that operates in the 1,550 nm optical fibre communication band with a storage time greater than 1 μs has not been demonstrated. Here we describe the spin dynamics of 167Er3+: Y2SiO5 in a high magnetic field and demonstrate that this material has the characteristics for a practical quantum memory in the 1,550 nm communication band. We observe a hyperfine coherence time of 1.3 s. We also demonstrate efficient spin pumping of the entire ensemble into a single hyperfine state, a requirement for broadband spin-wave storage. With an absorption of 70 dB cm-1 at 1,538 nm and Λ transitions enabling spin-wave storage, this material is the first candidate identified for an efficient, broadband quantum memory at telecommunication wavelengths.

Free-energy landscapes from adaptively biased methods: Application to quantum systems

NASA Astrophysics Data System (ADS)

Calvo, F.

2010-10-01

Several parallel adaptive biasing methods are applied to the calculation of free-energy pathways along reaction coordinates, choosing as a difficult example the double-funnel landscape of the 38-atom Lennard-Jones cluster. In the case of classical statistics, the Wang-Landau and adaptively biased molecular-dynamics (ABMD) methods are both found efficient if multiple walkers and replication and deletion schemes are used. An extension of the ABMD technique to quantum systems, implemented through the path-integral MD framework, is presented and tested on Ne38 against the quantum superposition method.

Fidelity Witnesses for Fermionic Quantum Simulations

NASA Astrophysics Data System (ADS)

Gluza, M.; Kliesch, M.; Eisert, J.; Aolita, L.

2018-05-01

The experimental interest and developments in quantum spin-1 /2 chains has increased uninterruptedly over the past decade. In many instances, the target quantum simulation belongs to the broader class of noninteracting fermionic models, constituting an important benchmark. In spite of this class being analytically efficiently tractable, no direct certification tool has yet been reported for it. In fact, in experiments, certification has almost exclusively relied on notions of quantum state tomography scaling very unfavorably with the system size. Here, we develop experimentally friendly fidelity witnesses for all pure fermionic Gaussian target states. Their expectation value yields a tight lower bound to the fidelity and can be measured efficiently. We derive witnesses in full generality in the Majorana-fermion representation and apply them to experimentally relevant spin-1 /2 chains. Among others, we show how to efficiently certify strongly out-of-equilibrium dynamics in critical Ising chains. At the heart of the measurement scheme is a variant of importance sampling specially tailored to overlaps between covariance matrices. The method is shown to be robust against finite experimental-state infidelities.

Effects of surface and interface traps on exciton and multi-exciton dynamics in core/shell quantum dots

NASA Astrophysics Data System (ADS)

Bozio, Renato; Righetto, Marcello; Minotto, Alessandro

2017-08-01

Exciton interactions and dynamics are the most important factors determining the exceptional photophysical properties of semiconductor quantum dots (QDs). In particular, best performances have been obtained for ingeniously engineered core/shell QDs. We have studied two factors entering in the exciton decay dynamics with adverse effects for the luminescence efficiency: exciton trapping at surface and interface traps, and non-radiative Auger recombination in QDs carrying either net charges or multiple excitons. In this work, we present a detailed study into the optical absorption, fluorescence dynamics and quantum yield, as well as ultrafast transient absorption properties of CdSe/CdS, CdSe/Cd0.5Zn0.5S, and CdSe/ZnS QDs as a function of shell thickness. It turns out that de-trapping processes play a pivotal role in determining steady state emission properties. By studying the excitation dependent photoluminescence quantum yields (PLQY) in different CdSe/CdxZn1-xS (x = 0, 0.5, 1) QDs, we demonstrate the different role played by hot and cold carrier trapping rates in determining fluorescence quantum yields. Finally, the use of global analysis allows us untangling the complex ultrafast transient absorption signals. Smoothing of interface potential, together with effective surface passivation, appear to be crucial factors in slowing down both Auger-based and exciton trapping recombination processes.

Advances in Quantum Trajectory Approaches to Dynamics

NASA Astrophysics Data System (ADS)

Askar, Attila

2001-03-01

The quantum fluid dynamics (QFD) formulation is based on the separation of the amplitude and phase of the complex wave function in Schrodinger's equation. The approach leads to conservation laws for an equivalent "gas continuum". The Lagrangian [1] representation corresponds to following the particles of the fluid continuum, i. e. calculating "quantum trajectories". The Eulerian [2] representation on the other hand, amounts to observing the dynamics of the gas continuum at the points of a fixed coordinate frame. The combination of several factors leads to a most encouraging computational efficiency. QFD enables the numerical analysis to deal with near monotonic amplitude and phase functions. The Lagrangian description concentrates the computation effort to regions of highest probability as an optimal adaptive grid. The Eulerian representation allows the study of multi-coordinate problems as a set of one-dimensional problems within an alternating direction methodology. An explicit time integrator limits the increase in computational effort with the number of discrete points to linear. Discretization of the space via local finite elements [1,2] and global radial functions [3] will be discussed. Applications include wave packets in four-dimensional quadratic potentials and two coordinate photo-dissociation problems for NOCl and NO2. [1] "Quantum fluid dynamics (QFD) in the Lagrangian representation with applications to photo-dissociation problems", F. Sales, A. Askar and H. A. Rabitz, J. Chem. Phys. 11, 2423 (1999) [2] "Multidimensional wave-packet dynamics within the fluid dynamical formulation of the Schrodinger equation", B. Dey, A. Askar and H. A. Rabitz, J. Chem. Phys. 109, 8770 (1998) [3] "Solution of the quantum fluid dynamics equations with radial basis function interpolation", Xu-Guang Hu, Tak-San Ho, H. A. Rabitz and A. Askar, Phys. Rev. E. 61, 5967 (2000)

Resonant transition-based quantum computation

NASA Astrophysics Data System (ADS)

Chiang, Chen-Fu; Hsieh, Chang-Yu

2017-05-01

In this article we assess a novel quantum computation paradigm based on the resonant transition (RT) phenomenon commonly associated with atomic and molecular systems. We thoroughly analyze the intimate connections between the RT-based quantum computation and the well-established adiabatic quantum computation (AQC). Both quantum computing frameworks encode solutions to computational problems in the spectral properties of a Hamiltonian and rely on the quantum dynamics to obtain the desired output state. We discuss how one can adapt any adiabatic quantum algorithm to a corresponding RT version and the two approaches are limited by different aspects of Hamiltonians' spectra. The RT approach provides a compelling alternative to the AQC under various circumstances. To better illustrate the usefulness of the novel framework, we analyze the time complexity of an algorithm for 3-SAT problems and discuss straightforward methods to fine tune its efficiency.

Quantumness-generating capability of quantum dynamics

NASA Astrophysics Data System (ADS)

Li, Nan; Luo, Shunlong; Mao, Yuanyuan

2018-04-01

We study quantumness-generating capability of quantum dynamics, where quantumness refers to the noncommutativity between the initial state and the evolving state. In terms of the commutator of the square roots of the initial state and the evolving state, we define a measure to quantify the quantumness-generating capability of quantum dynamics with respect to initial states. Quantumness-generating capability is absent in classical dynamics and hence is a fundamental characteristic of quantum dynamics. For qubit systems, we present an analytical form for this measure, by virtue of which we analyze several prototypical dynamics such as unitary dynamics, phase damping dynamics, amplitude damping dynamics, and random unitary dynamics (Pauli channels). Necessary and sufficient conditions for the monotonicity of quantumness-generating capability are also identified. Finally, we compare these conditions for the monotonicity of quantumness-generating capability with those for various Markovianities and illustrate that quantumness-generating capability and quantum Markovianity are closely related, although they capture different aspects of quantum dynamics.

Stochastic description of quantum Brownian dynamics

NASA Astrophysics Data System (ADS)

Yan, Yun-An; Shao, Jiushu

2016-08-01

Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems such as the dynamical description of quantum phase transition (local- ization) and the numerical stability of the trace-conserving, nonlinear stochastic Liouville equation are outlined.

Nonperturbative Treatment of non-Markovian Dynamics of Open Quantum Systems

NASA Astrophysics Data System (ADS)

Tamascelli, D.; Smirne, A.; Huelga, S. F.; Plenio, M. B.

2018-01-01

We identify the conditions that guarantee equivalence of the reduced dynamics of an open quantum system (OQS) for two different types of environments—one a continuous bosonic environment leading to a unitary system-environment evolution and the other a discrete-mode bosonic environment resulting in a system-mode (nonunitary) Lindbladian evolution. Assuming initial Gaussian states for the environments, we prove that the two OQS dynamics are equivalent if both the expectation values and two-time correlation functions of the environmental interaction operators are the same at all times for the two configurations. Since the numerical and analytical description of a discrete-mode environment undergoing a Lindbladian evolution is significantly more efficient than that of a continuous bosonic environment in a unitary evolution, our result represents a powerful, nonperturbative tool to describe complex and possibly highly non-Markovian dynamics. As a special application, we recover and generalize the well-known pseudomodes approach to open-system dynamics.

Fundamental performance differences between CMOS and CCD imagers: Part II

NASA Astrophysics Data System (ADS)

Janesick, James; Andrews, James; Tower, John; Grygon, Mark; Elliott, Tom; Cheng, John; Lesser, Michael; Pinter, Jeff

2007-09-01

A new class of CMOS imagers that compete with scientific CCDs is presented. The sensors are based on deep depletion backside illuminated technology to achieve high near infrared quantum efficiency and low pixel cross-talk. The imagers deliver very low read noise suitable for single photon counting - Fano-noise limited soft x-ray applications. Digital correlated double sampling signal processing necessary to achieve low read noise performance is analyzed and demonstrated for CMOS use. Detailed experimental data products generated by different pixel architectures (notably 3TPPD, 5TPPD and 6TPG designs) are presented including read noise, charge capacity, dynamic range, quantum efficiency, charge collection and transfer efficiency and dark current generation. Radiation damage data taken for the imagers is also reported.

A unified stochastic formulation of dissipative quantum dynamics. I. Generalized hierarchical equations

NASA Astrophysics Data System (ADS)

Hsieh, Chang-Yu; Cao, Jianshu

2018-01-01

We extend a standard stochastic theory to study open quantum systems coupled to a generic quantum environment. We exemplify the general framework by studying a two-level quantum system coupled bilinearly to the three fundamental classes of non-interacting particles: bosons, fermions, and spins. In this unified stochastic approach, the generalized stochastic Liouville equation (SLE) formally captures the exact quantum dissipations when noise variables with appropriate statistics for different bath models are applied. Anharmonic effects of a non-Gaussian bath are precisely encoded in the bath multi-time correlation functions that noise variables have to satisfy. Starting from the SLE, we devise a family of generalized hierarchical equations by averaging out the noise variables and expand bath multi-time correlation functions in a complete basis of orthonormal functions. The general hierarchical equations constitute systems of linear equations that provide numerically exact simulations of quantum dynamics. For bosonic bath models, our general hierarchical equation of motion reduces exactly to an extended version of hierarchical equation of motion which allows efficient simulation for arbitrary spectral densities and temperature regimes. Similar efficiency and flexibility can be achieved for the fermionic bath models within our formalism. The spin bath models can be simulated with two complementary approaches in the present formalism. (I) They can be viewed as an example of non-Gaussian bath models and be directly handled with the general hierarchical equation approach given their multi-time correlation functions. (II) Alternatively, each bath spin can be first mapped onto a pair of fermions and be treated as fermionic environments within the present formalism.

Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping

NASA Astrophysics Data System (ADS)

Lu, Jianfeng; Zhou, Zhennan

2018-02-01

To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer evolves according to an averaged Hamiltonian with respect to all possible surface index configurations of the ring polymer and thus connects the surface hopping approach to the mean-field path-integral molecular dynamics. A multiscale integrator for the infinite swapping limit is also proposed to enable efficient sampling based on the limiting dynamics. Numerical results demonstrate the huge improvement of sampling efficiency of the infinite swapping compared with the direct simulation of path-integral molecular dynamics with surface hopping.

An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics

NASA Astrophysics Data System (ADS)

Liu, Jie; Thiel, Walter

2018-04-01

We present an efficient implementation of configuration interaction with single excitations (CIS) for semiempirical orthogonalization-corrected OMx methods and standard modified neglect of diatomic overlap (MNDO)-type methods for the computation of vertical excitation energies as well as analytical gradients and nonadiabatic couplings. This CIS implementation is combined with Tully's fewest switches algorithm to enable surface hopping simulations of excited-state nonadiabatic dynamics. We introduce an accurate and efficient expression for the semiempirical evaluation of nonadiabatic couplings, which offers a significant speedup for medium-size molecules and is suitable for use in long nonadiabatic dynamics runs. As a pilot application, the semiempirical CIS implementation is employed to investigate ultrafast energy transfer processes in a phenylene ethynylene dendrimer model.

An efficient implementation of semiempirical quantum-chemical orthogonalization-corrected methods for excited-state dynamics.

PubMed

Liu, Jie; Thiel, Walter

2018-04-21

We present an efficient implementation of configuration interaction with single excitations (CIS) for semiempirical orthogonalization-corrected OMx methods and standard modified neglect of diatomic overlap (MNDO)-type methods for the computation of vertical excitation energies as well as analytical gradients and nonadiabatic couplings. This CIS implementation is combined with Tully's fewest switches algorithm to enable surface hopping simulations of excited-state nonadiabatic dynamics. We introduce an accurate and efficient expression for the semiempirical evaluation of nonadiabatic couplings, which offers a significant speedup for medium-size molecules and is suitable for use in long nonadiabatic dynamics runs. As a pilot application, the semiempirical CIS implementation is employed to investigate ultrafast energy transfer processes in a phenylene ethynylene dendrimer model.

Tensor network methods for the simulation of open quantum dynamics in multichromophore systems: Application to singlet fission in novel pentacene dimers

NASA Astrophysics Data System (ADS)

Chin, Alex

Singlet fission (SF) is an ultrafast process in which a singlet exciton spontaneously converts into a pair of entangled triplet excitons on neighbouring organic molecules. As a mechanism of multiple exciton generation, it has been suggested as a way to increase the efficiency of organic photovoltaic devices, and its underlying photophysics across a wide range of molecules and materials has attracted significant theoretical attention. Recently, a number of studies using ultrafast nonlinear optics have underscored the importance of intramolecular vibrational dynamics in efficient SF systems, prompting a need for methods capable of simulating open quantum dynamics in the presence of highly structured and strongly coupled environments. Here, a combination of ab initio electronic structure techniques and a new tensor-network methodology for simulating open vibronic dynamics is presented and applied to a recently synthesised dimer of pentacene (DP-Mes). We show that ultrafast (300 fs) SF in this system is driven entirely by symmetry breaking vibrations, and our many-body approach enables the real-time identification and tracking of the ''functional' vibrational dynamics and the role of the ''bath''-like parts of the environment. Deeper analysis of the emerging wave functions points to interesting links between the time at which parts of the environment become relevant to the SF process and the optimal topology of the tensor networks, highlighting the additional insight provided by moving the problem into the natural language of correlated quantum states and how this could lead to simulations of much larger multichromophore systems Supported by The Winton Programme for the Physics of Sustainability.

Cooperating or fighting with control noise in the optimal manipulation of quantum dynamics

NASA Astrophysics Data System (ADS)

Shuang, Feng; Rabitz, Herschel

2004-11-01

This paper investigates the impact of control field noise on the optimal manipulation of quantum dynamics. Simulations are performed on several multilevel quantum systems with the goal of population transfer in the presence of significant control noise. The noise enters as run-to-run variations in the control amplitude and phase with the observation being an ensemble average over many runs as is commonly done in the laboratory. A genetic algorithm with an improved elitism operator is used to find the optimal field that either fights against or cooperates with control field noise. When seeking a high control yield it is possible to find fields that successfully fight with the noise while attaining good quality stable results. When seeking modest control yields, fields can be found which are optimally shaped to cooperate with the noise and thereby drive the dynamics more efficiently. In general, noise reduces the coherence of the dynamics, but the results indicate that population transfer objectives can be met by appropriately either fighting or cooperating with noise, even when it is intense.

Cooperating or fighting with control noise in the optimal manipulation of quantum dynamics.

PubMed

Shuang, Feng; Rabitz, Herschel

2004-11-15

This paper investigates the impact of control field noise on the optimal manipulation of quantum dynamics. Simulations are performed on several multilevel quantum systems with the goal of population transfer in the presence of significant control noise. The noise enters as run-to-run variations in the control amplitude and phase with the observation being an ensemble average over many runs as is commonly done in the laboratory. A genetic algorithm with an improved elitism operator is used to find the optimal field that either fights against or cooperates with control field noise. When seeking a high control yield it is possible to find fields that successfully fight with the noise while attaining good quality stable results. When seeking modest control yields, fields can be found which are optimally shaped to cooperate with the noise and thereby drive the dynamics more efficiently. In general, noise reduces the coherence of the dynamics, but the results indicate that population transfer objectives can be met by appropriately either fighting or cooperating with noise, even when it is intense.

Classical simulation of quantum many-body systems

NASA Astrophysics Data System (ADS)

Huang, Yichen

Classical simulation of quantum many-body systems is in general a challenging problem for the simple reason that the dimension of the Hilbert space grows exponentially with the system size. In particular, merely encoding a generic quantum many-body state requires an exponential number of bits. However, condensed matter physicists are mostly interested in local Hamiltonians and especially their ground states, which are highly non-generic. Thus, we might hope that at least some physical systems allow efficient classical simulation. Starting with one-dimensional (1D) quantum systems (i.e., the simplest nontrivial case), the first basic question is: Which classes of states have efficient classical representations? It turns out that this question is quantitatively related to the amount of entanglement in the state, for states with "little entanglement'' are well approximated by matrix product states (a data structure that can be manipulated efficiently on a classical computer). At a technical level, the mathematical notion for "little entanglement'' is area law, which has been proved for unique ground states in 1D gapped systems. We establish an area law for constant-fold degenerate ground states in 1D gapped systems and thus explain the effectiveness of matrix-product-state methods in (e.g.) symmetry breaking phases. This result might not be intuitively trivial as degenerate ground states in gapped systems can be long-range correlated. Suppose an efficient classical representation exists. How can one find it efficiently? The density matrix renormalization group is the leading numerical method for computing ground states in 1D quantum systems. However, it is a heuristic algorithm and the possibility that it may fail in some cases cannot be completely ruled out. Recently, a provably efficient variant of the density matrix renormalization group has been developed for frustration-free 1D gapped systems. We generalize this algorithm to all (i.e., possibly frustrated) 1D gapped systems. Note that the ground-state energy of 1D gapless Hamiltonians is computationally intractable even in the presence of translational invariance. It is tempting to extend methods and tools in 1D to two and higher dimensions (2+D), e.g., matrix product states are generalized to tensor network states. Since an area law for entanglement (if formulated properly) implies efficient matrix product state representations in 1D, an interesting question is whether a similar implication holds in 2+D. Roughly speaking, we show that an area law for entanglement (in any reasonable formulation) does not always imply efficient tensor network representations of the ground states of 2+D local Hamiltonians even in the presence of translational invariance. It should be emphasized that this result does not contradict with the common sense that in practice quantum states with more entanglement usually require more space to be stored classically; rather, it demonstrates that the relationship between entanglement and efficient classical representations is still far from being well understood. Excited eigenstates participate in the dynamics of quantum systems and are particularly relevant to the phenomenon of many-body localization (absence of transport at finite temperature in strongly correlated systems). We study the entanglement of excited eigenstates in random spin chains and expect that its singularities coincide with dynamical quantum phase transitions. This expectation is confirmed in the disordered quantum Ising chain using both analytical and numerical methods. Finally, we study the problem of generating ground states (possibly with topological order) in 1D gapped systems using quantum circuits. This is an interesting problem both in theory and in practice. It not only characterizes the essential difference between the entanglement patterns that give rise to trivial and nontrivial topological order, but also quantifies the difficulty of preparing quantum states with a quantum computer (in experiments).

Quantum chemistry simulation on quantum computers: theories and experiments.

PubMed

Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

2012-07-14

It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

Sparse polynomial space approach to dissipative quantum systems: application to the sub-ohmic spin-boson model.

PubMed

Alvermann, A; Fehske, H

2009-04-17

We propose a general numerical approach to open quantum systems with a coupling to bath degrees of freedom. The technique combines the methodology of polynomial expansions of spectral functions with the sparse grid concept from interpolation theory. Thereby we construct a Hilbert space of moderate dimension to represent the bath degrees of freedom, which allows us to perform highly accurate and efficient calculations of static, spectral, and dynamic quantities using standard exact diagonalization algorithms. The strength of the approach is demonstrated for the phase transition, critical behavior, and dissipative spin dynamics in the spin-boson model.

Linear and nonlinear spectroscopy from quantum master equations.

PubMed

Fetherolf, Jonathan H; Berkelbach, Timothy C

2017-12-28

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Linear and nonlinear spectroscopy from quantum master equations

NASA Astrophysics Data System (ADS)

Fetherolf, Jonathan H.; Berkelbach, Timothy C.

2017-12-01

We investigate the accuracy of the second-order time-convolutionless (TCL2) quantum master equation for the calculation of linear and nonlinear spectroscopies of multichromophore systems. We show that even for systems with non-adiabatic coupling, the TCL2 master equation predicts linear absorption spectra that are accurate over an extremely broad range of parameters and well beyond what would be expected based on the perturbative nature of the approach; non-equilibrium population dynamics calculated with TCL2 for identical parameters are significantly less accurate. For third-order (two-dimensional) spectroscopy, the importance of population dynamics and the violation of the so-called quantum regression theorem degrade the accuracy of TCL2 dynamics. To correct these failures, we combine the TCL2 approach with a classical ensemble sampling of slow microscopic bath degrees of freedom, leading to an efficient hybrid quantum-classical scheme that displays excellent accuracy over a wide range of parameters. In the spectroscopic setting, the success of such a hybrid scheme can be understood through its separate treatment of homogeneous and inhomogeneous broadening. Importantly, the presented approach has the computational scaling of TCL2, with the modest addition of an embarrassingly parallel prefactor associated with ensemble sampling. The presented approach can be understood as a generalized inhomogeneous cumulant expansion technique, capable of treating multilevel systems with non-adiabatic dynamics.

Quantum fuel with multilevel atomic coherence for ultrahigh specific work in a photonic Carnot engine

NASA Astrophysics Data System (ADS)

Türkpençe, Deniz; Müstecaplıoǧlu, Özgür E.

2016-01-01

We investigate scaling of work and efficiency of a photonic Carnot engine with a number of quantum coherent resources. Specifically, we consider a generalization of the "phaseonium fuel" for the photonic Carnot engine, which was first introduced as a three-level atom with two lower states in a quantum coherent superposition by M. O. Scully, M. Suhail Zubairy, G. S. Agarwal, and H. Walther [Science 299, 862 (2003), 10.1126/science.1078955], to the case of N +1 level atoms with N coherent lower levels. We take into account atomic relaxation and dephasing as well as the cavity loss and derive a coarse-grained master equation to evaluate the work and efficiency analytically. Analytical results are verified by microscopic numerical examination of the thermalization dynamics. We find that efficiency and work scale quadratically with the number of quantum coherent levels. Quantum coherence boost to the specific energy (work output per unit mass of the resource) is a profound fundamental difference of quantum fuel from classical resources. We consider typical modern resonator set ups and conclude that multilevel phaseonium fuel can be utilized to overcome the decoherence in available systems. Preparation of the atomic coherences and the associated cost of coherence are analyzed and the engine operation within the bounds of the second law is verified. Our results bring the photonic Carnot engines much closer to the capabilities of current resonator technologies.

Ultrafast atomic-scale visualization of acoustic phonons generated by optically excited quantum dots

PubMed Central

Vanacore, Giovanni M.; Hu, Jianbo; Liang, Wenxi; Bietti, Sergio; Sanguinetti, Stefano; Carbone, Fabrizio; Zewail, Ahmed H.

2017-01-01

Understanding the dynamics of atomic vibrations confined in quasi-zero dimensional systems is crucial from both a fundamental point-of-view and a technological perspective. Using ultrafast electron diffraction, we monitored the lattice dynamics of GaAs quantum dots—grown by Droplet Epitaxy on AlGaAs—with sub-picosecond and sub-picometer resolutions. An ultrafast laser pulse nearly resonantly excites a confined exciton, which efficiently couples to high-energy acoustic phonons through the deformation potential mechanism. The transient behavior of the measured diffraction pattern reveals the nonequilibrium phonon dynamics both within the dots and in the region surrounding them. The experimental results are interpreted within the theoretical framework of a non-Markovian decoherence, according to which the optical excitation creates a localized polaron within the dot and a travelling phonon wavepacket that leaves the dot at the speed of sound. These findings indicate that integration of a phononic emitter in opto-electronic devices based on quantum dots for controlled communication processes can be fundamentally feasible. PMID:28852685

Chain representations of Open Quantum Systems and Lieb-Robinson like bounds for the dynamics

NASA Astrophysics Data System (ADS)

Woods, Mischa

2013-03-01

This talk is concerned with the mapping of the Hamiltonian of open quantum systems onto chain representations, which forms the basis for a rigorous theory of the interaction of a system with its environment. This mapping progresses as an interaction which gives rise to a sequence of residual spectral densities of the system. The rigorous mathematical properties of this mapping have been unknown so far. Here we develop the theory of secondary measures to derive an analytic, expression for the sequence solely in terms of the initial measure and its associated orthogonal polynomials of the first and second kind. These mappings can be thought of as taking a highly nonlocal Hamiltonian to a local Hamiltonian. In the latter, a Lieb-Robinson like bound for the dynamics of the open quantum system makes sense. We develop analytical bounds on the error to observables of the system as a function of time when the semi-infinite chain in truncated at some finite length. The fact that this is possible shows that there is a finite ``Speed of sound'' in these chain representations. This has many implications of the simulatability of open quantum systems of this type and demonstrates that a truncated chain can faithfully reproduce the dynamics at shorter times. These results make a significant and mathematically rigorous contribution to the understanding of the theory of open quantum systems; and pave the way towards the efficient simulation of these systems, which within the standard methods, is often an intractable problem. EPSRC CDT in Controlled Quantum Dynamics, EU STREP project and Alexander von Humboldt Foundation

Quantum Yield of Cyclobutane Pyrimidine Dimer Formation Via the Triplet Channel Determined by Photosensitization.

PubMed

Liu, Lizhe; Pilles, Bert M; Gontcharov, Julia; Bucher, Dominik B; Zinth, Wolfgang

2016-01-21

UV-induced formation of the cyclobutane pyrimidine dimer (CPD) lesion is investigated by stationary and time-resolved photosensitization experiments. The photosensitizer 2'-methoxyacetophenone with high intersystem crossing efficiency and large absorption cross-section in the UV-A range was used. A diffusion controlled reaction model is presented. Time-resolved experiments confirmed the validity of the reaction model and provided information on the dynamics of the triplet sensitization process. With a series of concentration dependent stationary illumination experiments, we determined the quantum efficiency for CPD formation from the triplet state of the thymine dinucleotide TpT to be 4 ± 0.2%.

Quantum demultiplexer of quantum parameter-estimation information in quantum networks

NASA Astrophysics Data System (ADS)

Xie, Yanqing; Huang, Yumeng; Wu, Yinzhong; Hao, Xiang

2018-05-01

The quantum demultiplexer is constructed by a series of unitary operators and multipartite entangled states. It is used to realize information broadcasting from an input node to multiple output nodes in quantum networks. The scheme of quantum network communication with respect to phase estimation is put forward through the demultiplexer subjected to amplitude damping noises. The generalized partial measurements can be applied to protect the transferring efficiency from environmental noises in the protocol. It is found out that there are some optimal coherent states which can be prepared to enhance the transmission of phase estimation. The dynamics of state fidelity and quantum Fisher information are investigated to evaluate the feasibility of the network communication. While the state fidelity deteriorates rapidly, the quantum Fisher information can be enhanced to a maximum value and then decreases slowly. The memory effect of the environment induces the oscillations of fidelity and quantum Fisher information. The adjustment of the strength of partial measurements is helpful to increase quantum Fisher information.

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

PubMed

Marsalek, Ondrej; Markland, Thomas E

2016-02-07

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

Digital-analog quantum simulation of generalized Dicke models with superconducting circuits

NASA Astrophysics Data System (ADS)

Lamata, Lucas

2017-03-01

We propose a digital-analog quantum simulation of generalized Dicke models with superconducting circuits, including Fermi- Bose condensates, biased and pulsed Dicke models, for all regimes of light-matter coupling. We encode these classes of problems in a set of superconducting qubits coupled with a bosonic mode implemented by a transmission line resonator. Via digital-analog techniques, an efficient quantum simulation can be performed in state-of-the-art circuit quantum electrodynamics platforms, by suitable decomposition into analog qubit-bosonic blocks and collective single-qubit pulses through digital steps. Moreover, just a single global analog block would be needed during the whole protocol in most of the cases, superimposed with fast periodic pulses to rotate and detune the qubits. Therefore, a large number of digital steps may be attained with this approach, providing a reduced digital error. Additionally, the number of gates per digital step does not grow with the number of qubits, rendering the simulation efficient. This strategy paves the way for the scalable digital-analog quantum simulation of many-body dynamics involving bosonic modes and spin degrees of freedom with superconducting circuits.

Digital-analog quantum simulation of generalized Dicke models with superconducting circuits

PubMed Central

Lamata, Lucas

2017-01-01

We propose a digital-analog quantum simulation of generalized Dicke models with superconducting circuits, including Fermi- Bose condensates, biased and pulsed Dicke models, for all regimes of light-matter coupling. We encode these classes of problems in a set of superconducting qubits coupled with a bosonic mode implemented by a transmission line resonator. Via digital-analog techniques, an efficient quantum simulation can be performed in state-of-the-art circuit quantum electrodynamics platforms, by suitable decomposition into analog qubit-bosonic blocks and collective single-qubit pulses through digital steps. Moreover, just a single global analog block would be needed during the whole protocol in most of the cases, superimposed with fast periodic pulses to rotate and detune the qubits. Therefore, a large number of digital steps may be attained with this approach, providing a reduced digital error. Additionally, the number of gates per digital step does not grow with the number of qubits, rendering the simulation efficient. This strategy paves the way for the scalable digital-analog quantum simulation of many-body dynamics involving bosonic modes and spin degrees of freedom with superconducting circuits. PMID:28256559

Accelerated optimization and automated discovery with covariance matrix adaptation for experimental quantum control

NASA Astrophysics Data System (ADS)

Roslund, Jonathan; Shir, Ofer M.; Bäck, Thomas; Rabitz, Herschel

2009-10-01

Optimization of quantum systems by closed-loop adaptive pulse shaping offers a rich domain for the development and application of specialized evolutionary algorithms. Derandomized evolution strategies (DESs) are presented here as a robust class of optimizers for experimental quantum control. The combination of stochastic and quasi-local search embodied by these algorithms is especially amenable to the inherent topology of quantum control landscapes. Implementation of DES in the laboratory results in efficiency gains of up to ˜9 times that of the standard genetic algorithm, and thus is a promising tool for optimization of unstable or fragile systems. The statistical learning upon which these algorithms are predicated also provide the means for obtaining a control problem’s Hessian matrix with no additional experimental overhead. The forced optimal covariance adaptive learning (FOCAL) method is introduced to enable retrieval of the Hessian matrix, which can reveal information about the landscape’s local structure and dynamic mechanism. Exploitation of such algorithms in quantum control experiments should enhance their efficiency and provide additional fundamental insights.

Controlled exciton transfer between quantum dots with acoustic phonons taken into account

DOE Office of Scientific and Technical Information (OSTI.GOV)

Golovinski, P. A., E-mail: golovinski@bk.ru

2015-09-15

A system of excitons in two quantum dots coupled by the dipole–dipole interaction is investigated. The excitation transfer process controlled by the optical Stark effect at nonresonant frequencies is considered and the effect of the interaction between excitons and acoustic phonons in a medium on this process is taken into account. The system evolution is described using quantum Heisenberg equations. A truncated set of equations is obtained and the transfer dynamics is numerically simulated. High-efficiency picosecond switching of the excitation transfer by a laser pulse with a rectangular envelope is demonstrated. The dependence of picosecond switching on the quantum-dot parametersmore » and optical-pulse length is presented.« less

Experimental Rectification of Entropy Production by Maxwell's Demon in a Quantum System

NASA Astrophysics Data System (ADS)

Camati, Patrice A.; Peterson, John P. S.; Batalhão, Tiago B.; Micadei, Kaonan; Souza, Alexandre M.; Sarthour, Roberto S.; Oliveira, Ivan S.; Serra, Roberto M.

2016-12-01

Maxwell's demon explores the role of information in physical processes. Employing information about microscopic degrees of freedom, this "intelligent observer" is capable of compensating entropy production (or extracting work), apparently challenging the second law of thermodynamics. In a modern standpoint, it is regarded as a feedback control mechanism and the limits of thermodynamics are recast incorporating information-to-energy conversion. We derive a trade-off relation between information-theoretic quantities empowering the design of an efficient Maxwell's demon in a quantum system. The demon is experimentally implemented as a spin-1 /2 quantum memory that acquires information, and employs it to control the dynamics of another spin-1 /2 system, through a natural interaction. Noise and imperfections in this protocol are investigated by the assessment of its effectiveness. This realization provides experimental evidence that the irreversibility in a nonequilibrium dynamics can be mitigated by assessing microscopic information and applying a feed-forward strategy at the quantum scale.

Experimental Rectification of Entropy Production by Maxwell's Demon in a Quantum System.

PubMed

Camati, Patrice A; Peterson, John P S; Batalhão, Tiago B; Micadei, Kaonan; Souza, Alexandre M; Sarthour, Roberto S; Oliveira, Ivan S; Serra, Roberto M

2016-12-09

Maxwell's demon explores the role of information in physical processes. Employing information about microscopic degrees of freedom, this "intelligent observer" is capable of compensating entropy production (or extracting work), apparently challenging the second law of thermodynamics. In a modern standpoint, it is regarded as a feedback control mechanism and the limits of thermodynamics are recast incorporating information-to-energy conversion. We derive a trade-off relation between information-theoretic quantities empowering the design of an efficient Maxwell's demon in a quantum system. The demon is experimentally implemented as a spin-1/2 quantum memory that acquires information, and employs it to control the dynamics of another spin-1/2 system, through a natural interaction. Noise and imperfections in this protocol are investigated by the assessment of its effectiveness. This realization provides experimental evidence that the irreversibility in a nonequilibrium dynamics can be mitigated by assessing microscopic information and applying a feed-forward strategy at the quantum scale.

Internal quantum efficiency and carrier dynamics in semipolar (2021) InGaN/GaN light-emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okur, Serdal; Nami, Mohsen; Rishinaramangalam, Ashwin K.

Here, the internal quantum efficiencies (IQE) and carrier lifetimes of semipolar (more » $$20\\bar{2}$$$\\bar{1}$$) InGaN/GaN LEDs with different active regions are measured using temperature-dependent, carrier-density-dependent, and time-resolved photoluminescence. Three active regions are investigated: one 12-nm-thick single quantum well (SQW), two 6-nm-thick QWs, and three 4-nm-thick QWs. The IQE is highest for the 12-nm-thick SQW and decreases as the well width decreases. The radiative lifetimes are similar for all structures, while the nonradiative lifetimes decrease as the well width decreases. The superior IQE and longer nonradiative lifetime of the SQW structure suggests using thick SQW active regions for high brightness semipolar ($$20\\bar{2}$$$\\bar{1}$$) LEDs.« less

Encapsulation efficiency of CdSe/ZnS quantum dots by liposomes determined by thermal lens microscopy

PubMed Central

Batalla, Jessica; Cabrera, Humberto; San Martín-Martínez, Eduardo; Korte, Dorota; Calderón, Antonio; Marín, Ernesto

2015-01-01

In this study the encapsulation of core shell carboxyl CdSe/ZnS quantum dots (QDs) by phospholipids liposome complexes is presented. It makes the quantum dots water soluble and photo-stable. Fluorescence self-quenching of the QDs inside the liposomes was observed. Therefore, the thermal lens microscopy (TLM) was found to be an useful tool for measuring the encapsulation efficiency of the QDs by the liposomes, for which an optimum value of 36% was determined. The obtained limit of detection (LOD) for determining QDs concentration by TLM was 0.13 nM. Moreover, the encapsulated QDs showed no prominent cytotoxicity toward Breast cancer cells line MDA-MB-231. This study was supported by UV-visible spectroscopy, high resolution transmission electron microscopy (HRTEM) and dynamic light scattering measurements (DLS). PMID:26504640

Internal quantum efficiency and carrier dynamics in semipolar (2021) InGaN/GaN light-emitting diodes

DOE PAGES

Okur, Serdal; Nami, Mohsen; Rishinaramangalam, Ashwin K.; ...

2017-01-26

Here, the internal quantum efficiencies (IQE) and carrier lifetimes of semipolar (more » $$20\\bar{2}$$$\\bar{1}$$) InGaN/GaN LEDs with different active regions are measured using temperature-dependent, carrier-density-dependent, and time-resolved photoluminescence. Three active regions are investigated: one 12-nm-thick single quantum well (SQW), two 6-nm-thick QWs, and three 4-nm-thick QWs. The IQE is highest for the 12-nm-thick SQW and decreases as the well width decreases. The radiative lifetimes are similar for all structures, while the nonradiative lifetimes decrease as the well width decreases. The superior IQE and longer nonradiative lifetime of the SQW structure suggests using thick SQW active regions for high brightness semipolar ($$20\\bar{2}$$$\\bar{1}$$) LEDs.« less

Quantum efficiencies exceeding unity in amorphous silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanmaekelbergh, D.; Lagemaat, J. van de; Schropp, R.E.I.

1994-12-31

The experimental observation of internal quantum efficiencies above unity in crystalline silicon solar cells has brought up the question whether the generation of multiple electron/hole pairs has to be taken into consideration also in solar cells based on direct gap amorphous semiconductors. To study photogenerated carrier dynamics, the authors have applied Intensity Modulated Photocurrent Spectroscopy (IMPS) to hydrogenated amorphous silicon p-i-n solar cells. In the reverse voltage bias region at low illumination intensities it has been observed that the low frequency limit of the AC quantum yield Y increases significantly above unit with decreasing light intensity, indicating that more thanmore » one electron per photon is detected in the external circuit. This phenomenon can be explained by considering trapping and thermal emission of photogenerated carriers at intragap atmospheric dangling bond defect centers.« less

Reconstructing quantum entropy production to probe irreversibility and correlations

NASA Astrophysics Data System (ADS)

Gherardini, Stefano; Müller, Matthias M.; Trombettoni, Andrea; Ruffo, Stefano; Caruso, Filippo

2018-07-01

One of the major goals of quantum thermodynamics is the characterization of irreversibility and its consequences in quantum processes. Here, we discuss how entropy production provides a quantification of the irreversibility in open quantum systems through the quantum fluctuation theorem. We start by introducing a two-time quantum measurement scheme, in which the dynamical evolution between the measurements is described by a completely positive, trace-preserving (CPTP) quantum map (forward process). By inverting the measurement scheme and applying the time-reversed version of the quantum map, we can study how this backward process differs from the forward one. When the CPTP map is unital, we show that the stochastic quantum entropy production is a function only of the probabilities to get the initial measurement outcomes in correspondence of the forward and backward processes. For bipartite open quantum systems we also prove that the mean value of the stochastic quantum entropy production is sub-additive with respect to the bipartition (except for product states). Hence, we find a method to detect correlations between the subsystems. Our main result is the proposal of an efficient protocol to determine and reconstruct the characteristic functions of the stochastic entropy production for each subsystem. This procedure enables to reconstruct even others thermodynamical quantities, such as the work distribution of the composite system and the corresponding internal energy. Efficiency and possible extensions of the protocol are also discussed. Finally, we show how our findings might be experimentally tested by exploiting the state of-the-art trapped-ion platforms.

Quantum speed limit constraints on a nanoscale autonomous refrigerator

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Chiranjib; Misra, Avijit; Bhattacharya, Samyadeb; Pati, Arun Kumar

2018-06-01

Quantum speed limit, furnishing a lower bound on the required time for the evolution of a quantum system through the state space, imposes an ultimate natural limitation to the dynamics of physical devices. Quantum absorption refrigerators, however, have attracted a great deal of attention in the past few years. In this paper, we discuss the effects of quantum speed limit on the performance of a quantum absorption refrigerator. In particular, we show that there exists a tradeoff relation between the steady cooling rate of the refrigerator and the minimum time taken to reach the steady state. Based on this, we define a figure of merit called "bounding second order cooling rate" and show that this scales linearly with the unitary interaction strength among the constituent qubits. We also study the increase of bounding second-order cooling rate with the thermalization strength. We subsequently demonstrate that coherence in the initial three qubit system can significantly increase the bounding second-order cooling rate. We study the efficiency of the refrigerator at maximum bounding second-order cooling rate and, in a limiting case, we show that the efficiency at maximum bounding second-order cooling rate is given by a simple formula resembling the Curzon-Ahlborn relation.

Time reversal and charge conjugation in an embedding quantum simulator.

PubMed

Zhang, Xiang; Shen, Yangchao; Zhang, Junhua; Casanova, Jorge; Lamata, Lucas; Solano, Enrique; Yung, Man-Hong; Zhang, Jing-Ning; Kim, Kihwan

2015-08-04

A quantum simulator is an important device that may soon outperform current classical computations. A basic arithmetic operation, the complex conjugate, however, is considered to be impossible to be implemented in such a quantum system due to the linear character of quantum mechanics. Here, we present the experimental quantum simulation of such an unphysical operation beyond the regime of unitary and dissipative evolutions through the embedding of a quantum dynamics in the electronic multilevels of a (171)Yb(+) ion. We perform time reversal and charge conjugation, which are paradigmatic examples of antiunitary symmetry operators, in the evolution of a Majorana equation without the tomographic knowledge of the evolving state. Thus, these operations can be applied regardless of the system size. Our approach offers the possibility to add unphysical operations to the toolbox of quantum simulation, and provides a route to efficiently compute otherwise intractable quantities, such as entanglement monotones.

Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm

DOE PAGES

Colless, J. I.; Ramasesh, V. V.; Dahlen, D.; ...

2018-02-12

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite coherent lifetimes. Hybrid algorithms, such as the variational quantum eigensolver (VQE), leverage classical resources to reduce the required number of quantum gates. Experimental demonstrations of VQE have resulted in calculation of Hamiltonian ground states, and a new theoretical approach based on a quantum subspace expansion (QSE) has outlined a procedure for determining excited states that are central to dynamical processes. Here, we use a superconducting-qubit-based processor to apply the QSE approach to the H 2 molecule, extracting both groundmore » and excited states without the need for auxiliary qubits or additional minimization. Further, we show that this extended protocol can mitigate the effects of incoherent errors, potentially enabling larger-scale quantum simulations without the need for complex error-correction techniques.« less

Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm

NASA Astrophysics Data System (ADS)

Colless, J. I.; Ramasesh, V. V.; Dahlen, D.; Blok, M. S.; Kimchi-Schwartz, M. E.; McClean, J. R.; Carter, J.; de Jong, W. A.; Siddiqi, I.

2018-02-01

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite coherent lifetimes. Hybrid algorithms, such as the variational quantum eigensolver (VQE), leverage classical resources to reduce the required number of quantum gates. Experimental demonstrations of VQE have resulted in calculation of Hamiltonian ground states, and a new theoretical approach based on a quantum subspace expansion (QSE) has outlined a procedure for determining excited states that are central to dynamical processes. We use a superconducting-qubit-based processor to apply the QSE approach to the H2 molecule, extracting both ground and excited states without the need for auxiliary qubits or additional minimization. Further, we show that this extended protocol can mitigate the effects of incoherent errors, potentially enabling larger-scale quantum simulations without the need for complex error-correction techniques.

Computation of Molecular Spectra on a Quantum Processor with an Error-Resilient Algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colless, J. I.; Ramasesh, V. V.; Dahlen, D.

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite coherent lifetimes. Hybrid algorithms, such as the variational quantum eigensolver (VQE), leverage classical resources to reduce the required number of quantum gates. Experimental demonstrations of VQE have resulted in calculation of Hamiltonian ground states, and a new theoretical approach based on a quantum subspace expansion (QSE) has outlined a procedure for determining excited states that are central to dynamical processes. Here, we use a superconducting-qubit-based processor to apply the QSE approach to the H 2 molecule, extracting both groundmore » and excited states without the need for auxiliary qubits or additional minimization. Further, we show that this extended protocol can mitigate the effects of incoherent errors, potentially enabling larger-scale quantum simulations without the need for complex error-correction techniques.« less

Time reversal and charge conjugation in an embedding quantum simulator

PubMed Central

Zhang, Xiang; Shen, Yangchao; Zhang, Junhua; Casanova, Jorge; Lamata, Lucas; Solano, Enrique; Yung, Man-Hong; Zhang, Jing-Ning; Kim, Kihwan

2015-01-01

A quantum simulator is an important device that may soon outperform current classical computations. A basic arithmetic operation, the complex conjugate, however, is considered to be impossible to be implemented in such a quantum system due to the linear character of quantum mechanics. Here, we present the experimental quantum simulation of such an unphysical operation beyond the regime of unitary and dissipative evolutions through the embedding of a quantum dynamics in the electronic multilevels of a 171Yb+ ion. We perform time reversal and charge conjugation, which are paradigmatic examples of antiunitary symmetry operators, in the evolution of a Majorana equation without the tomographic knowledge of the evolving state. Thus, these operations can be applied regardless of the system size. Our approach offers the possibility to add unphysical operations to the toolbox of quantum simulation, and provides a route to efficiently compute otherwise intractable quantities, such as entanglement monotones. PMID:26239028

From transistor to trapped-ion computers for quantum chemistry.

PubMed

Yung, M-H; Casanova, J; Mezzacapo, A; McClean, J; Lamata, L; Aspuru-Guzik, A; Solano, E

2014-01-07

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

Continuous-variable geometric phase and its manipulation for quantum computation in a superconducting circuit.

PubMed

Song, Chao; Zheng, Shi-Biao; Zhang, Pengfei; Xu, Kai; Zhang, Libo; Guo, Qiujiang; Liu, Wuxin; Xu, Da; Deng, Hui; Huang, Keqiang; Zheng, Dongning; Zhu, Xiaobo; Wang, H

2017-10-20

Geometric phase, associated with holonomy transformation in quantum state space, is an important quantum-mechanical effect. Besides fundamental interest, this effect has practical applications, among which geometric quantum computation is a paradigm, where quantum logic operations are realized through geometric phase manipulation that has some intrinsic noise-resilient advantages and may enable simplified implementation of multi-qubit gates compared to the dynamical approach. Here we report observation of a continuous-variable geometric phase and demonstrate a quantum gate protocol based on this phase in a superconducting circuit, where five qubits are controllably coupled to a resonator. Our geometric approach allows for one-step implementation of n-qubit controlled-phase gates, which represents a remarkable advantage compared to gate decomposition methods, where the number of required steps dramatically increases with n. Following this approach, we realize these gates with n up to 4, verifying the high efficiency of this geometric manipulation for quantum computation.

From transistor to trapped-ion computers for quantum chemistry

PubMed Central

Yung, M.-H.; Casanova, J.; Mezzacapo, A.; McClean, J.; Lamata, L.; Aspuru-Guzik, A.; Solano, E.

2014-01-01

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology. PMID:24395054

Molecular Dynamics Simulation of the Thermophysical Properties of Quantum Liquid Helium Using the Feynman-Hibbs Potential

NASA Astrophysics Data System (ADS)

Liu, J.; Lu, W. Q.

2010-03-01

This paper presents the detailed MD simulation on the properties including the thermal conductivities and viscosities of the quantum fluid helium at different state points. The molecular interactions are represented by the Lennard-Jones pair potentials supplemented by quantum corrections following the Feynman-Hibbs approach and the properties are calculated using the Green-Kubo equations. A comparison is made among the numerical results using LJ and QFH potentials and the existing database and shows that the LJ model is not quantitatively correct for the supercritical liquid helium, thereby the quantum effect must be taken into account when the quantum fluid helium is studied. The comparison of the thermal conductivity is also made as a function of temperatures and pressure and the results show quantum effect correction is an efficient tool to get the thermal conductivities.

Time-Dependent Density Functional Theory for Open Systems and Its Applications.

PubMed

Chen, Shuguang; Kwok, YanHo; Chen, GuanHua

2018-02-20

Photovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry is confined to isolated and closed systems, while quantum dissipation theory studies open quantum systems. The key quantity in quantum dissipation theory is the reduced system density matrix. As the reduced system density matrix is an O(M! × M!) matrix, where M is the number of the particles of the system of interest, quantum dissipation theory can only be employed to simulate systems of a few particles or degrees of freedom. It is thus important to combine quantum chemistry and quantum dissipation theory so that realistic open quantum systems can be simulated from first-principles. We have developed a first-principles method to simulate the dynamics of open electronic systems, the time-dependent density functional theory for open systems (TDDFT-OS). Instead of the reduced system density matrix, the key quantity is the reduced single-electron density matrix, which is an N × N matrix where N is the number of the atomic bases of the system of interest. As the dimension of the key quantity is drastically reduced, the TDDFT-OS can thus be used to simulate the dynamics of realistic open electronic systems and efficient numerical algorithms have been developed. As an application, we apply the method to study how quantum interference develops in a molecular transistor in time domain. We include electron-phonon interaction in our simulation and show that quantum interference in the given system is robust against nuclear vibration not only in the steady state but also in the transient dynamics. As another application, by combining TDDFT-OS with Ehrenfest dynamics, we study current-induced dissociation of water molecules under scanning tunneling microscopy and follow its time dependent dynamics. Given the rapid development in ultrafast experiments with atomic resolution in recent years, time dependent simulation of open electronic systems will be useful to gain insight and understanding of such experiments. This Account will mainly focus on the practical aspects of the TDDFT-OS method, describing the numerical implementation and demonstrating the method with applications.

Nonlinear Stimulated Raman Exact Passage by Resonance-Locked Inverse Engineering

NASA Astrophysics Data System (ADS)

Dorier, V.; Gevorgyan, M.; Ishkhanyan, A.; Leroy, C.; Jauslin, H. R.; Guérin, S.

2017-12-01

We derive an exact and robust stimulated Raman process for nonlinear quantum systems driven by pulsed external fields. The external fields are designed with closed-form expressions from the inverse engineering of a given efficient and stable dynamics. This technique allows one to induce a controlled population inversion which surpasses the usual nonlinear stimulated Raman adiabatic passage efficiency.

Open source Matrix Product States: Opening ways to simulate entangled many-body quantum systems in one dimension

NASA Astrophysics Data System (ADS)

Jaschke, Daniel; Wall, Michael L.; Carr, Lincoln D.

2018-04-01

Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States (MPSs), have attracted interest from different fields of quantum physics ranging from solid state systems to quantum simulators and quantum computing. Our open source MPS code provides the community with a toolset to analyze the statics and dynamics of one-dimensional quantum systems. Here, we present our open source library, Open Source Matrix Product States (OSMPS), of MPS methods implemented in Python and Fortran2003. The library includes tools for ground state calculation and excited states via the variational ansatz. We also support ground states for infinite systems with translational invariance. Dynamics are simulated with different algorithms, including three algorithms with support for long-range interactions. Convenient features include built-in support for fermionic systems and number conservation with rotational U(1) and discrete Z2 symmetries for finite systems, as well as data parallelism with MPI. We explain the principles and techniques used in this library along with examples of how to efficiently use the general interfaces to analyze the Ising and Bose-Hubbard models. This description includes the preparation of simulations as well as dispatching and post-processing of them.

Room-Temperature Triple-Ligand Surface Engineering Synergistically Boosts Ink Stability, Recombination Dynamics, and Charge Injection toward EQE-11.6% Perovskite QLEDs.

PubMed

Song, Jizhong; Li, Jinhang; Xu, Leimeng; Li, Jianhai; Zhang, Fengjuan; Han, Boning; Shan, Qingsong; Zeng, Haibo

2018-06-10

Developing low-cost and high-quality quantum dots (QDs) or nanocrystals (NCs) and their corresponding efficient light-emitting diodes (LEDs) is crucial for the next-generation ultra-high-definition flexible displays. Here, there is a report on a room-temperature triple-ligand surface engineering strategy to play the synergistic role of short ligands of tetraoctylammonium bromide (TOAB), didodecyldimethylammonium bromide (DDAB), and octanoic acid (OTAc) toward "ideal" perovskite QDs with a high photoluminescence quantum yield (PLQY) of >90%, unity radiative decay in its intrinsic channel, stable ink characteristics, and effective charge injection and transportation in QD films, resulting in the highly efficient QD-based LEDs (QLEDs). Furthermore, the QD films with less nonradiative recombination centers exhibit improved PL properties with a PLQY of 61% through dopant engineering in A-site. The robustness of such properties is demonstrated by the fabrication of green electroluminescent LEDs based on CsPbBr 3 QDs with the peak external quantum efficiency (EQE) of 11.6%, and the corresponding peak internal quantum efficiency (IQE) and power efficiency are 52.2% and 44.65 lm W -1 , respectively, which are the most-efficient perovskite QLEDs with colloidal CsPbBr 3 QDs as emitters up to now. These results demonstrate that the as-obtained QD inks have a wide range application in future high-definition QD displays and high-quality lightings. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonadiabatic quantum dynamics and laser control of Br2 in solid argon.

PubMed

Accardi, A; Borowski, A; Kühn, O

2009-07-02

A five-dimensional reaction surface-vibronic coupling model is introduced to describe the B- to C-state predissociation dynamics of Br(2) occupying a double substitutional lattice site in a face-centered cubic argon crystal at low temperatures. The quantum dynamics driven by a Franck-Condon vertical excitation is investigated, revealing the role of matrix cage compression for efficient nonadiabatic transitions. Vibrational preexcitation of the Br(2) bond in the electronic ground state can be used to access a different regime of predissociation which does not require substantial matrix compression because the Franck-Condon window shifts into the energetic range of the B-C level crossing. Using optimal control theory, it is shown how vibrational preexcitation can be achieved via a pump-dump-type mechanism involving the repulsive C state.

Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors

NASA Astrophysics Data System (ADS)

Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.

2016-12-01

The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.

Work extremum principle: structure and function of quantum heat engines.

PubMed

Allahverdyan, Armen E; Johal, Ramandeep S; Mahler, Guenter

2008-04-01

We consider a class of quantum heat engines consisting of two subsystems interacting with a work-source and coupled to two separate baths at different temperatures Th>Tc. The purpose of the engine is to extract work due to the temperature difference. Its dynamics is not restricted to the near equilibrium regime. The engine structure is determined by maximizing the extracted work under various constraints. When this maximization is carried out at finite power, the engine dynamics is described by well-defined temperatures and satisfies the local version of the second law. In addition, its efficiency is bounded from below by the Curzon-Ahlborn value 1-radical Tc/Th and from above by the Carnot value 1-(Tc/Th). The latter is reached-at finite power--for a macroscopic engine, while the former is achieved in the equilibrium limit Th-->Tc . The efficiency that maximizes the power is strictly larger than the Curzon-Ahloborn value. When the work is maximized at a zero power, even a small (few-level) engine extracts work right at the Carnot efficiency.

Quantum dynamical framework for Brownian heat engines

NASA Astrophysics Data System (ADS)

Agarwal, G. S.; Chaturvedi, S.

2013-07-01

We present a self-contained formalism modeled after the Brownian motion of a quantum harmonic oscillator for describing the performance of microscopic Brownian heat engines such as Carnot, Stirling, and Otto engines. Our theory, besides reproducing the standard thermodynamics results in the steady state, enables us to study the role dissipation plays in determining the efficiency of Brownian heat engines under actual laboratory conditions. In particular, we analyze in detail the dynamics associated with decoupling a system in equilibrium with one bath and recoupling it to another bath and obtain exact analytical results, which are shown to have significant ramifications on the efficiencies of engines involving such a step. We also develop a simple yet powerful technique for computing corrections to the steady state results arising from finite operation time and use it to arrive at the thermodynamic complementarity relations for various operating conditions and also to compute the efficiencies of the three engines cited above at maximum power. Some of the methods and exactly solvable models presented here are interesting in their own right and could find useful applications in other contexts as well.

Quantum Confined Semiconductors for High Efficiency Photovoltaics

NASA Astrophysics Data System (ADS)

Beard, Matthew

2014-03-01

Semiconductor nanostructures, where at least one dimension is small enough to produce quantum confinement effects, provide new pathways for controlling energy flow and therefore have the potential to increase the efficiency of the primary photon-to-free energy conversion step. In this discussion, I will present the current status of research efforts towards utilizing the unique properties of colloidal quantum dots (NCs confined in three dimensions) in prototype solar cells and demonstrate that these unique systems have the potential to bypass the Shockley-Queisser single-junction limit for solar photon conversion. The solar cells are constructed using a low temperature solution based deposition of PbS or PbSe QDs as the absorber layer. Different chemical treatments of the QD layer are employed in order to obtain good electrical communication while maintaining the quantum-confined properties of the QDs. We have characterized the transport and carrier dynamics using a transient absorption, time-resolved THz, and temperature-dependent photoluminescence. I will discuss the interplay between carrier generation, recombination, and mobility within the QD layers. A unique aspect of our devices is that the QDs exhibit multiple exciton generation with an efficiency that is ~ 2 to 3 times greater than the parental bulk semiconductor.

Towards a heralded eigenstate-preserving measurement of multi-qubit parity in circuit QED

NASA Astrophysics Data System (ADS)

Huembeli, Patrick; Nigg, Simon E.

2017-07-01

Eigenstate-preserving multi-qubit parity measurements lie at the heart of stabilizer quantum error correction, which is a promising approach to mitigate the problem of decoherence in quantum computers. In this work we explore a high-fidelity, eigenstate-preserving parity readout for superconducting qubits dispersively coupled to a microwave resonator, where the parity bit is encoded in the amplitude of a coherent state of the resonator. Detecting photons emitted by the resonator via a current biased Josephson junction yields information about the parity bit. We analyze theoretically the measurement back action in the limit of a strongly coupled fast detector and show that in general such a parity measurement, while approximately quantum nondemolition is not eigenstate preserving. To remediate this shortcoming we propose a simple dynamical decoupling technique during photon detection, which greatly reduces decoherence within a given parity subspace. Furthermore, by applying a sequence of fast displacement operations interleaved with the dynamical decoupling pulses, the natural bias of this binary detector can be efficiently suppressed. Finally, we introduce the concept of a heralded parity measurement, where a detector click guarantees successful multi-qubit parity detection even for finite detection efficiency.

A dynamically reconfigurable logic cell: from artificial neural networks to quantum-dot cellular automata

NASA Astrophysics Data System (ADS)

Naqvi, Syed Rameez; Akram, Tallha; Iqbal, Saba; Haider, Sajjad Ali; Kamran, Muhammad; Muhammad, Nazeer

2018-02-01

Considering the lack of optimization support for Quantum-dot Cellular Automata, we propose a dynamically reconfigurable logic cell capable of implementing various logic operations by means of artificial neural networks. The cell can be reconfigured to any 2-input combinational logic gate by altering the strength of connections, called weights and biases. We demonstrate how these cells may appositely be organized to perform multi-bit arithmetic and logic operations. The proposed work is important in that it gives a standard implementation of an 8-bit arithmetic and logic unit for quantum-dot cellular automata with minimal area and latency overhead. We also compare the proposed design with a few existing arithmetic and logic units, and show that it is more area efficient than any equivalent available in literature. Furthermore, the design is adaptable to 16, 32, and 64 bit architectures.

Quantum fuel with multilevel atomic coherence for ultrahigh specific work in a photonic Carnot engine.

PubMed

Türkpençe, Deniz; Müstecaplıoğlu, Özgür E

2016-01-01

We investigate scaling of work and efficiency of a photonic Carnot engine with a number of quantum coherent resources. Specifically, we consider a generalization of the "phaseonium fuel" for the photonic Carnot engine, which was first introduced as a three-level atom with two lower states in a quantum coherent superposition by M. O. Scully, M. Suhail Zubairy, G. S. Agarwal, and H. Walther [Science 299, 862 (2003)SCIEAS0036-807510.1126/science.1078955], to the case of N+1 level atoms with N coherent lower levels. We take into account atomic relaxation and dephasing as well as the cavity loss and derive a coarse-grained master equation to evaluate the work and efficiency analytically. Analytical results are verified by microscopic numerical examination of the thermalization dynamics. We find that efficiency and work scale quadratically with the number of quantum coherent levels. Quantum coherence boost to the specific energy (work output per unit mass of the resource) is a profound fundamental difference of quantum fuel from classical resources. We consider typical modern resonator set ups and conclude that multilevel phaseonium fuel can be utilized to overcome the decoherence in available systems. Preparation of the atomic coherences and the associated cost of coherence are analyzed and the engine operation within the bounds of the second law is verified. Our results bring the photonic Carnot engines much closer to the capabilities of current resonator technologies.

Perspective: Ring-polymer instanton theory

NASA Astrophysics Data System (ADS)

Richardson, Jeremy O.

2018-05-01

Since the earliest explorations of quantum mechanics, it has been a topic of great interest that quantum tunneling allows particles to penetrate classically insurmountable barriers. Instanton theory provides a simple description of these processes in terms of dominant tunneling pathways. Using a ring-polymer discretization, an efficient computational method is obtained for applying this theory to compute reaction rates and tunneling splittings in molecular systems. Unlike other quantum-dynamics approaches, the method scales well with the number of degrees of freedom, and for many polyatomic systems, the method may provide the most accurate predictions which can be practically computed. Instanton theory thus has the capability to produce useful data for many fields of low-temperature chemistry including spectroscopy, atmospheric and astrochemistry, as well as surface science. There is however still room for improvement in the efficiency of the numerical algorithms, and new theories are under development for describing tunneling in nonadiabatic transitions.

Single-photon absorption by single photosynthetic light-harvesting complexes

NASA Astrophysics Data System (ADS)

Chan, Herman C. H.; Gamel, Omar E.; Fleming, Graham R.; Whaley, K. Birgitta

2018-03-01

We provide a unified theoretical approach to the quantum dynamics of absorption of single photons and subsequent excitonic energy transfer in photosynthetic light-harvesting complexes. Our analysis combines a continuous mode < n > -photon quantum optical master equation for the chromophoric system with the hierarchy of equations of motion describing excitonic dynamics in presence of non-Markovian coupling to vibrations of the chromophores and surrounding protein. We apply the approach to simulation of absorption of single-photon coherent states by pigment-protein complexes containing between one and seven chromophores, and compare with results obtained by excitation using a thermal radiation field. We show that the values of excitation probability obtained under single-photon absorption conditions can be consistently related to bulk absorption cross-sections. Analysis of the timescale and efficiency of single-photon absorption by light-harvesting systems within this full quantum description of pigment-protein dynamics coupled to a quantum radiation field reveals a non-trivial dependence of the excitation probability and the excited state dynamics induced by exciton-phonon coupling during and subsequent to the pulse, on the bandwidth of the incident photon pulse. For bandwidths equal to the spectral bandwidth of Chlorophyll a, our results yield an estimation of an average time of ˜0.09 s for a single chlorophyll chromophore to absorb the energy equivalent of one (single-polarization) photon under irradiation by single-photon states at the intensity of sunlight.

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marsalek, Ondrej; Markland, Thomas E., E-mail: tmarkland@stanford.edu

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding asmore » a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.« less

Entanglement of spin waves among four quantum memories.

PubMed

Choi, K S; Goban, A; Papp, S B; van Enk, S J; Kimble, H J

2010-11-18

Quantum networks are composed of quantum nodes that interact coherently through quantum channels, and open a broad frontier of scientific opportunities. For example, a quantum network can serve as a 'web' for connecting quantum processors for computation and communication, or as a 'simulator' allowing investigations of quantum critical phenomena arising from interactions among the nodes mediated by the channels. The physical realization of quantum networks generically requires dynamical systems capable of generating and storing entangled states among multiple quantum memories, and efficiently transferring stored entanglement into quantum channels for distribution across the network. Although such capabilities have been demonstrated for diverse bipartite systems, entangled states have not been achieved for interconnects capable of 'mapping' multipartite entanglement stored in quantum memories to quantum channels. Here we demonstrate measurement-induced entanglement stored in four atomic memories; user-controlled, coherent transfer of the atomic entanglement to four photonic channels; and characterization of the full quadripartite entanglement using quantum uncertainty relations. Our work therefore constitutes an advance in the distribution of multipartite entanglement across quantum networks. We also show that our entanglement verification method is suitable for studying the entanglement order of condensed-matter systems in thermal equilibrium.

Generalized Master Equation with Non-Markovian Multichromophoric Förster Resonance Energy Transfer for Modular Exciton Densities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jang, Seogjoo; Hoyer, Stephan; Fleming, Graham

2014-10-31

A generalized master equation (GME) governing quantum evolution of modular exciton density (MED) is derived for large scale light harvesting systems composed of weakly interacting modules of multiple chromophores. The GME-MED offers a practical framework to incorporate real time coherent quantum dynamics calculations of small length scales into dynamics over large length scales, and also provides a non-Markovian generalization and rigorous derivation of the Pauli master equation employing multichromophoric Förster resonance energy transfer rates. A test of the GME-MED for four sites of the Fenna-Matthews-Olson complex demonstrates how coherent dynamics of excitonic populations over coupled chromophores can be accurately describedmore » by transitions between subgroups (modules) of delocalized excitons. Application of the GME-MED to the exciton dynamics between a pair of light harvesting complexes in purple bacteria demonstrates its promise as a computationally efficient tool to investigate large scale exciton dynamics in complex environments.« less

Dynamic Nuclear Polarization and the Paradox of Quantum Thermalization.

PubMed

De Luca, Andrea; Rosso, Alberto

2015-08-21

Dynamic nuclear polarization (DNP) is to date the most effective technique to increase the nuclear polarization opening disruptive perspectives for medical applications. In a DNP setting, the interacting spin system is quasi-isolated and brought out of equilibrium by microwave irradiation. Here we show that the resulting stationary state strongly depends on the ergodicity properties of the spin many-body eigenstates. In particular, the dipolar interactions compete with the disorder induced by local magnetic fields resulting in two distinct dynamical phases: while for weak interaction, only a small enhancement of polarization is observed, for strong interactions the spins collectively equilibrate to an extremely low effective temperature that boosts DNP efficiency. We argue that these two phases are intimately related to the problem of thermalization in closed quantum systems where a many-body localization transition can occur varying the strength of the interactions.

Fast optical cooling of nanomechanical cantilever with the dynamical Zeeman effect.

PubMed

Zhang, Jian-Qi; Zhang, Shuo; Zou, Jin-Hua; Chen, Liang; Yang, Wen; Li, Yong; Feng, Mang

2013-12-02

We propose an efficient optical electromagnetically induced transparency (EIT) cooling scheme for a cantilever with a nitrogen-vacancy center attached in a non-uniform magnetic field using dynamical Zeeman effect. In our scheme, the Zeeman effect combined with the quantum interference effect enhances the desired cooling transition and suppresses the undesired heating transitions. As a result, the cantilever can be cooled down to nearly the vibrational ground state under realistic experimental conditions within a short time. This efficient optical EIT cooling scheme can be reduced to the typical EIT cooling scheme under special conditions.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

NASA Astrophysics Data System (ADS)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

Efficient calculation of open quantum system dynamics and time-resolved spectroscopy with distributed memory HEOM (DM-HEOM).

PubMed

Kramer, Tobias; Noack, Matthias; Reinefeld, Alexander; Rodríguez, Mirta; Zelinskyy, Yaroslav

2018-06-11

Time- and frequency-resolved optical signals provide insights into the properties of light-harvesting molecular complexes, including excitation energies, dipole strengths and orientations, as well as in the exciton energy flow through the complex. The hierarchical equations of motion (HEOM) provide a unifying theory, which allows one to study the combined effects of system-environment dissipation and non-Markovian memory without making restrictive assumptions about weak or strong couplings or separability of vibrational and electronic degrees of freedom. With increasing system size the exact solution of the open quantum system dynamics requires memory and compute resources beyond a single compute node. To overcome this barrier, we developed a scalable variant of HEOM. Our distributed memory HEOM, DM-HEOM, is a universal tool for open quantum system dynamics. It is used to accurately compute all experimentally accessible time- and frequency-resolved processes in light-harvesting molecular complexes with arbitrary system-environment couplings for a wide range of temperatures and complex sizes. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

DOE PAGES

White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

2016-04-25

Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitablemore » for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.« less

Perspective: The future of quantum dot photonic integrated circuits

NASA Astrophysics Data System (ADS)

Norman, Justin C.; Jung, Daehwan; Wan, Yating; Bowers, John E.

2018-03-01

Direct epitaxial integration of III-V materials on Si offers substantial manufacturing cost and scalability advantages over heterogeneous integration. The challenge is that epitaxial growth introduces high densities of crystalline defects that limit device performance and lifetime. Quantum dot lasers, amplifiers, modulators, and photodetectors epitaxially grown on Si are showing promise for achieving low-cost, scalable integration with silicon photonics. The unique electrical confinement properties of quantum dots provide reduced sensitivity to the crystalline defects that result from III-V/Si growth, while their unique gain dynamics show promise for improved performance and new functionalities relative to their quantum well counterparts in many devices. Clear advantages for using quantum dot active layers for lasers and amplifiers on and off Si have already been demonstrated, and results for quantum dot based photodetectors and modulators look promising. Laser performance on Si is improving rapidly with continuous-wave threshold currents below 1 mA, injection efficiencies of 87%, and output powers of 175 mW at 20 °C. 1500-h reliability tests at 35 °C showed an extrapolated mean-time-to-failure of more than ten million hours. This represents a significant stride toward efficient, scalable, and reliable III-V lasers on on-axis Si substrates for photonic integrate circuits that are fully compatible with complementary metal-oxide-semiconductor (CMOS) foundries.

A seven-degree-of-freedom, time-dependent quantum dynamics study on the energy efficiency in surmounting the central energy barrier of the OH + CH{sub 3} → O + CH{sub 4} reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Pengxiu; Wang, Yuping; Li, Yida

2015-04-28

A time-dependent, quantum reaction dynamics calculation with seven degrees of freedom was carried out to study the energy efficiency in surmounting the approximate center energy barrier of OH + CH{sub 3}. The calculation shows the OH vibration excitations greatly enhance the reactivity, whereas the vibrational excitations of CH{sub 3} and the rotational excitations hinder the reactivity. On the basis of equal amount of total energy, although this reaction has a slight early barrier, it is the OH vibrational energy that is the dominate force in promoting the reactivity, not the translational energy. The studies on both the forward O +more » CH{sub 4} and reverse OH + CH{sub 3} reactions demonstrate, for these central barrier reactions, a small change of the barrier location can significantly change the energy efficacy roles on the reactivity. The calculated rate constants agree with the experimental data.« less

Origins of low energy-transfer efficiency between patterned GaN quantum well and CdSe quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Xingsheng, E-mail: xsxu@semi.ac.cn

For hybrid light emitting devices (LEDs) consisting of GaN quantum wells and colloidal quantum dots, it is necessary to explore the physical mechanisms causing decreases in the quantum efficiencies and the energy transfer efficiency between a GaN quantum well and CdSe quantum dots. This study investigated the electro-luminescence for a hybrid LED consisting of colloidal quantum dots and a GaN quantum well patterned with photonic crystals. It was found that both the quantum efficiency of colloidal quantum dots on a GaN quantum well and the energy transfer efficiency between the patterned GaN quantum well and the colloidal quantum dots decreasedmore » with increases in the driving voltage or the driving time. Under high driving voltages, the decreases in the quantum efficiency of the colloidal quantum dots and the energy transfer efficiency can be attributed to Auger recombination, while those decreases under long driving time are due to photo-bleaching and Auger recombination.« less

Dissipation equation of motion approach to open quantum systems

NASA Astrophysics Data System (ADS)

Yan, YiJing; Jin, Jinshuang; Xu, Rui-Xue; Zheng, Xiao

2016-08-01

This paper presents a comprehensive account of the dissipaton-equation-of-motion (DEOM) theory for open quantum systems. This newly developed theory treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that are also experimentally measurable. Despite the fact that DEOM recovers the celebrated hierarchical-equations-of-motion (HEOM) formalism, these two approaches have some fundamental differences. To show these differences, we also scrutinize the HEOM construction via its root at the influence functional path integral formalism. We conclude that many unique features of DEOM are beyond the reach of the HEOM framework. The new DEOM approach renders a statistical quasi-particle picture to account for the environment, which can be either bosonic or fermionic. The review covers the DEOM construction, the physical meanings of dynamical variables, the underlying theorems and dissipaton algebra, and recent numerical advancements for efficient DEOM evaluations of various problems. We also address the issue of high-order many-dissipaton truncations with respect to the invariance principle of quantum mechanics of Schrödinger versus Heisenberg prescriptions. DEOM serves as a universal tool for characterizing of stationary and dynamic properties of system-and-bath interferences, as highlighted with its real-time evaluation of both linear and nonlinear current noise spectra of nonequilibrium electronic transport.

Quantum Gibbs Samplers: The Commuting Case

NASA Astrophysics Data System (ADS)

Kastoryano, Michael J.; Brandão, Fernando G. S. L.

2016-06-01

We analyze the problem of preparing quantum Gibbs states of lattice spin Hamiltonians with local and commuting terms on a quantum computer and in nature. Our central result is an equivalence between the behavior of correlations in the Gibbs state and the mixing time of the semigroup which drives the system to thermal equilibrium (the Gibbs sampler). We introduce a framework for analyzing the correlation and mixing properties of quantum Gibbs states and quantum Gibbs samplers, which is rooted in the theory of non-commutative {mathbb{L}_p} spaces. We consider two distinct classes of Gibbs samplers, one of them being the well-studied Davies generator modelling the dynamics of a system due to weak-coupling with a large Markovian environment. We show that their spectral gap is independent of system size if, and only if, a certain strong form of clustering of correlations holds in the Gibbs state. Therefore every Gibbs state of a commuting Hamiltonian that satisfies clustering of correlations in this strong sense can be prepared efficiently on a quantum computer. As concrete applications of our formalism, we show that for every one-dimensional lattice system, or for systems in lattices of any dimension at temperatures above a certain threshold, the Gibbs samplers of commuting Hamiltonians are always gapped, giving an efficient way of preparing the associated Gibbs states on a quantum computer.

Two-photon photoemission study of competing Auger and surface-mediated relaxation of hot electrons in CdSe quantum dot solids.

PubMed

Sippel, Philipp; Albrecht, Wiebke; Mitoraj, Dariusz; Eichberger, Rainer; Hannappel, Thomas; Vanmaekelbergh, Daniel

2013-04-10

Solids composed of colloidal quantum dots hold promise for third generation highly efficient thin-film photovoltaic cells. The presence of well-separated conduction electron states opens the possibility for an energy-selective collection of hot and equilibrated carriers, pushing the efficiency above the one-band gap limit. However, in order to reach this goal the decay of hot carriers within a band must be better understood and prevented, eventually. Here, we present a two-photon photoemission study of the 1Pe→1Se intraband relaxation dynamics in a CdSe quantum dot solid that mimics the active layer in a photovoltaic cell. We observe fast hot electron relaxation from the 1Pe to the 1Se state on a femtosecond-scale by Auger-type energy donation to the hole. However, if the oleic acid capping is exchanged for hexanedithiol capping, fast deep hole trapping competes efficiently with this relaxation pathway, blocking the Auger-type electron-hole energy exchange. A slower decay becomes then visible; we provide evidence that this is a multistep process involving the surface.

Architectures for Quantum Simulation Showing a Quantum Speedup

NASA Astrophysics Data System (ADS)

Bermejo-Vega, Juan; Hangleiter, Dominik; Schwarz, Martin; Raussendorf, Robert; Eisert, Jens

2018-04-01

One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy," referring to the experimental realization of a quantum device that computationally outperforms classical computers. In this work, we show that one can devise versatile and feasible schemes of two-dimensional, dynamical, quantum simulators showing such a quantum speedup, building on intermediate problems involving nonadaptive, measurement-based, quantum computation. In each of the schemes, an initial product state is prepared, potentially involving an element of randomness as in disordered models, followed by a short-time evolution under a basic translationally invariant Hamiltonian with simple nearest-neighbor interactions and a mere sampling measurement in a fixed basis. The correctness of the final-state preparation in each scheme is fully efficiently certifiable. We discuss experimental necessities and possible physical architectures, inspired by platforms of cold atoms in optical lattices and a number of others, as well as specific assumptions that enter the complexity-theoretic arguments. This work shows that benchmark settings exhibiting a quantum speedup may require little control, in contrast to universal quantum computing. Thus, our proposal puts a convincing experimental demonstration of a quantum speedup within reach in the near term.

Dirac Cellular Automaton from Split-step Quantum Walk

PubMed Central

Mallick, Arindam; Chandrashekar, C. M.

2016-01-01

Simulations of one quantum system by an other has an implication in realization of quantum machine that can imitate any quantum system and solve problems that are not accessible to classical computers. One of the approach to engineer quantum simulations is to discretize the space-time degree of freedom in quantum dynamics and define the quantum cellular automata (QCA), a local unitary update rule on a lattice. Different models of QCA are constructed using set of conditions which are not unique and are not always in implementable configuration on any other system. Dirac Cellular Automata (DCA) is one such model constructed for Dirac Hamiltonian (DH) in free quantum field theory. Here, starting from a split-step discrete-time quantum walk (QW) which is uniquely defined for experimental implementation, we recover the DCA along with all the fine oscillations in position space and bridge the missing connection between DH-DCA-QW. We will present the contribution of the parameters resulting in the fine oscillations on the Zitterbewegung frequency and entanglement. The tuneability of the evolution parameters demonstrated in experimental implementation of QW will establish it as an efficient tool to design quantum simulator and approach quantum field theory from principles of quantum information theory. PMID:27184159

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimojo, Fuyuki; Hattori, Shinnosuke; Department of Physics, Kumamoto University, Kumamoto 860-8555

We introduce an extension of the divide-and-conquer (DC) algorithmic paradigm called divide-conquer-recombine (DCR) to perform large quantum molecular dynamics (QMD) simulations on massively parallel supercomputers, in which interatomic forces are computed quantum mechanically in the framework of density functional theory (DFT). In DCR, the DC phase constructs globally informed, overlapping local-domain solutions, which in the recombine phase are synthesized into a global solution encompassing large spatiotemporal scales. For the DC phase, we design a lean divide-and-conquer (LDC) DFT algorithm, which significantly reduces the prefactor of the O(N) computational cost for N electrons by applying a density-adaptive boundary condition at themore » peripheries of the DC domains. Our globally scalable and locally efficient solver is based on a hybrid real-reciprocal space approach that combines: (1) a highly scalable real-space multigrid to represent the global charge density; and (2) a numerically efficient plane-wave basis for local electronic wave functions and charge density within each domain. Hybrid space-band decomposition is used to implement the LDC-DFT algorithm on parallel computers. A benchmark test on an IBM Blue Gene/Q computer exhibits an isogranular parallel efficiency of 0.984 on 786 432 cores for a 50.3 × 10{sup 6}-atom SiC system. As a test of production runs, LDC-DFT-based QMD simulation involving 16 661 atoms is performed on the Blue Gene/Q to study on-demand production of hydrogen gas from water using LiAl alloy particles. As an example of the recombine phase, LDC-DFT electronic structures are used as a basis set to describe global photoexcitation dynamics with nonadiabatic QMD (NAQMD) and kinetic Monte Carlo (KMC) methods. The NAQMD simulations are based on the linear response time-dependent density functional theory to describe electronic excited states and a surface-hopping approach to describe transitions between the excited states. A series of techniques are employed for efficiently calculating the long-range exact exchange correction and excited-state forces. The NAQMD trajectories are analyzed to extract the rates of various excitonic processes, which are then used in KMC simulation to study the dynamics of the global exciton flow network. This has allowed the study of large-scale photoexcitation dynamics in 6400-atom amorphous molecular solid, reaching the experimental time scales.« less

Quantum dissipation theory and applications to quantum transport and quantum measurement in mesoscopic systems

NASA Astrophysics Data System (ADS)

Cui, Ping

The thesis comprises two major themes of quantum statistical dynamics. One is the development of quantum dissipation theory (QDT). It covers the establishment of some basic relations of quantum statistical dynamics, the construction of several nonequivalent complete second-order formulations, and the development of exact QDT. Another is related to the applications of quantum statistical dynamics to a variety of research fields. In particular, unconventional but novel theories of the electron transfer in Debye solvents, quantum transport, and quantum measurement are developed on the basis of QDT formulations. The thesis is organized as follows. In Chapter 1, we present some background knowledge in relation to the aforementioned two themes of this thesis. The key quantity in QDT is the reduced density operator rho(t) ≡ trBrho T(t); i.e., the partial trace of the total system and bath composite rhoT(t) over the bath degrees of freedom. QDT governs the evolution of reduced density operator, where the effects of bath are treated in a quantum statistical manner. In principle, the reduced density operator contains all dynamics information of interest. However, the conventional quantum transport theory is formulated in terms of nonequilibrium Green's function. The newly emerging field of quantum measurement in relation to quantum information and quantum computing does exploit a sort of QDT formalism. Besides the background of the relevant theoretical development, some representative experiments on molecular nanojunctions are also briefly discussed. In chapter 2, we outline some basic (including new) relations that highlight several important issues on QDT. The content includes the background of nonequilibrium quantum statistical mechanics, the general description of the total composite Hamiltonian with stochastic system-bath interaction, a novel parameterization scheme for bath correlation functions, a newly developed exact theory of driven Brownian oscillator (DBO) systems, and its closely related solvation mode transformation of system-bath coupling Hamiltonian in general. The exact QDT of DBO systems is also used to clarify the validity of conventional QDT formulations that involve Markovian approximation. In Chapter 3, we develop three nonequivalent but all complete second-order QDT (CS-QDT) formulations. Two of them are of the conventional prescriptions in terms of time-local dissipation and memory kernel, respectively. The third one is called the correlated driving-dissipation equations of motion (CODDE). This novel CS-QDT combines the merits of the former two for its advantages in both the application and numerical implementation aspects. Also highlighted is the importance of correlated driving-dissipation effects on the dynamics of the reduced system. In Chapter 4, we construct an exact QDT formalism via the calculus on path integrals. The new theory aims at the efficient evaluation of non-Markovian dissipation beyond the weak system-bath interaction regime in the presence of time-dependent external field. By adopting exponential-like expansions for bath correlation function, hierarchical equations of motion formalism and continued fraction Liouville-space Green's function formalism are established. The latter will soon be used together with the Dyson equation technique for an efficient evaluation of non-perturbative reduced density matrix dynamics. The interplay between system-bath interaction strength, non-Markovian property, and the required level of hierarchy is also studied with the aid of simple spin-boson systems, together with the three proposed schemes to truncate the infinite hierarchy. In Chapter 5, we develop a nonperturbative theory of electron transfer (ET) in Debye solvents. The resulting exact and analytical rate expression is constructed on the basis of the aforementioned continued fraction Liouville-space Green's function formalism, together with the Dyson equation technique. Not only does it recover the celebrated Marcus' inversion and Kramers' turnover behaviors, the new theory also shows some distinct quantum solvation effects that can alter the ET mechanism. Moreover, the present theory predicts further for the ET reaction thermodynamics, such as equilibrium Gibbs free-energy and entropy, some interesting solvent-dependent features that are calling for experimental verification. In Chapter 6, we discuss the constructed QDTs, in terms of their unified mathematical structure that supports a linear dynamics space, and thus facilitates their applications to various physical problems. The involving details are exemplified with the CODDE form of QDT. As the linear space is concerned, we identify the Schrodinger versus Heisenberg picture and the forward versus backward propagation of the reduced, dissipative Liouville dynamics. For applications we discuss the reduced linear response theory and the optimal control problems, in which the correlated effects of non-Markovian dissipation and field driving are shown to be important. In Chapter 7, we turn to quantum transport, i.e., electric current through molecular or mesoscopic systems under finite applied voltage. By viewing the nonequilibrium transport setup as a quantum open system, we develop a reduced-density-matrix approach to quantum transport. The resulting current is explicitly expressed in terms of the molecular reduced density matrix by tracing out the degrees of freedom of the electrodes at finite bias and temperature. We propose a conditional quantum master equation theory, which is an extension of the conventional (or unconditional) QDT by tracing out the well-defined bath subsets individually, instead of the entire bath degrees of freedom. Both the current and the noise spectrum can be conveniently analyzed in terms of the conditional reduced density matrix dynamics. By far, the QDT (including the conditional one) has only been exploited in second-order form. A self-consistent Born approximation for the system-electrode coupling is further proposed to recover all existing nonlinear current-voltage behaviors including the nonequilibrium Kondo effect. Transport theory based on the exact QDT formalism will be developed in future. In Chapter 8, we study the quantum measurement of a qubit with a quantum-point-contact detector. On the basis of a unified quantum master equation (a form of QDT), we study the measurement-induced relaxation and dephasing of the qubit. Our treatment pays particular attention on the detailed-balance relation, which is a consequence of properly accounting for the energy exchange between the qubit and detector during the measurement process. We also derive a conditional quantum master equation for quantum measurement in general, and study the readout characteristics of the qubit measurement. Our theory is applicable to the quantum measurement at arbitrary voltage and temperature. A number of remarkable new features are found and highlighted in concern with their possible relevance to future experiments. In Chapter 9, we discuss the further development of QDT, aiming at an efficient evaluation of many-electron systems. This will be carried out by reducing the many-particle (Fermion or Boson) QDT to a single-particle one by exploring, e.g. the Wick's contraction theorem. It also results in a time-dependent density functional theory (TDDFT) for transport through complex large-scale (e.g. molecules) systems. Primary results of the TDDFT-QDT are reported. In Chapter 10, we summary the thesis, and comment and remark on the future work on both the theoretical and application aspects of QDT.

Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

2015-03-01

Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

Dynamically protected cat-qubits: a new paradigm for universal quantum computation

NASA Astrophysics Data System (ADS)

Mirrahimi, Mazyar; Leghtas, Zaki; Albert, Victor V.; Touzard, Steven; Schoelkopf, Robert J.; Jiang, Liang; Devoret, Michel H.

2014-04-01

We present a new hardware-efficient paradigm for universal quantum computation which is based on encoding, protecting and manipulating quantum information in a quantum harmonic oscillator. This proposal exploits multi-photon driven dissipative processes to encode quantum information in logical bases composed of Schrödinger cat states. More precisely, we consider two schemes. In a first scheme, a two-photon driven dissipative process is used to stabilize a logical qubit basis of two-component Schrödinger cat states. While such a scheme ensures a protection of the logical qubit against the photon dephasing errors, the prominent error channel of single-photon loss induces bit-flip type errors that cannot be corrected. Therefore, we consider a second scheme based on a four-photon driven dissipative process which leads to the choice of four-component Schrödinger cat states as the logical qubit. Such a logical qubit can be protected against single-photon loss by continuous photon number parity measurements. Next, applying some specific Hamiltonians, we provide a set of universal quantum gates on the encoded qubits of each of the two schemes. In particular, we illustrate how these operations can be rendered fault-tolerant with respect to various decoherence channels of participating quantum systems. Finally, we also propose experimental schemes based on quantum superconducting circuits and inspired by methods used in Josephson parametric amplification, which should allow one to achieve these driven dissipative processes along with the Hamiltonians ensuring the universal operations in an efficient manner.

Electron Dynamics in Finite Quantum Systems

NASA Astrophysics Data System (ADS)

McDonald, Christopher R.

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) and multiconfiguration time-dependent Hartree (MCTDH) methods are employed to investigate nonperturbative multielectron dynamics in finite quantum systems. MCTDHF is a powerful tool that allows for the investigation of multielectron dynamics in strongly perturbed quantum systems. We have developed an MCTDHF code that is capable of treating problems involving three dimensional (3D) atoms and molecules exposed to strong laser fields. This code will allow for the theoretical treatment of multielectron phenomena in attosecond science that were previously inaccessible. These problems include complex ionization processes in pump-probe experiments on noble gas atoms, the nonlinear effects that have been observed in Ne atoms in the presence of an x-ray free-electron laser (XFEL) and the molecular rearrangement of cations after ionization. An implementation of MCTDH that is optimized for two electrons, each moving in two dimensions (2D), is also presented. This implementation of MCTDH allows for the efficient treatment of 2D spin-free systems involving two electrons; however, it does not scale well to 3D or to systems containing more that two electrons. Both MCTDHF and MCTDH were used to treat 2D problems in nanophysics and attosecond science. MCTDHF is used to investigate plasmon dynamics and the quantum breathing mode for several electrons in finite lateral quantum dots. MCTDHF is also used to study the effects of manipulating the potential of a double lateral quantum dot containing two electrons; applications to quantum computing are discussed. MCTDH is used to examine a diatomic model molecular system exposed to a strong laser field; nonsequential double ionization and high harmonic generation are studied and new processes identified and explained. An implementation of MCTDHF is developed for nonuniform tensor product grids; this will allow for the full 3D implementation of MCTDHF and will provide a means to investigate a wide variety of problems that cannot be currently treated by any other method. Finally, the time it takes for an electron to tunnel from a bound state is investigated; a definition of the tunnel time is established and the Keldysh time is connected to the wavefunction dynamics.

Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

NASA Astrophysics Data System (ADS)

Vanicek, Jiri

2014-03-01

Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

TRIQS: A toolbox for research on interacting quantum systems

NASA Astrophysics Data System (ADS)

Parcollet, Olivier; Ferrero, Michel; Ayral, Thomas; Hafermann, Hartmut; Krivenko, Igor; Messio, Laura; Seth, Priyanka

2015-11-01

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes in a modern, concise and efficient way: e.g. Green's function containers, a generic Monte Carlo class, and simple interfaces to HDF5. TRIQS is a C++/Python library that can be used from either language. It is distributed under the GNU General Public License (GPLv3). State-of-the-art applications based on the library, such as modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean-field theory (DMFT) codes are distributed along with it.

Can one trust quantum simulators?

PubMed

Hauke, Philipp; Cucchietti, Fernando M; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

2012-08-01

Various fundamental phenomena of strongly correlated quantum systems such as high-T(c) superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by 'simulation' with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a 'quantum simulator,' would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question 'Can we trust quantum simulators?' is … to some extent.

Can one trust quantum simulators?

NASA Astrophysics Data System (ADS)

Hauke, Philipp; Cucchietti, Fernando M.; Tagliacozzo, Luca; Deutsch, Ivan; Lewenstein, Maciej

2012-08-01

Various fundamental phenomena of strongly correlated quantum systems such as high-Tc superconductivity, the fractional quantum-Hall effect and quark confinement are still awaiting a universally accepted explanation. The main obstacle is the computational complexity of solving even the most simplified theoretical models which are designed to capture the relevant quantum correlations of the many-body system of interest. In his seminal 1982 paper (Feynman 1982 Int. J. Theor. Phys. 21 467), Richard Feynman suggested that such models might be solved by ‘simulation’ with a new type of computer whose constituent parts are effectively governed by a desired quantum many-body dynamics. Measurements on this engineered machine, now known as a ‘quantum simulator,’ would reveal some unknown or difficult to compute properties of a model of interest. We argue that a useful quantum simulator must satisfy four conditions: relevance, controllability, reliability and efficiency. We review the current state of the art of digital and analog quantum simulators. Whereas so far the majority of the focus, both theoretically and experimentally, has been on controllability of relevant models, we emphasize here the need for a careful analysis of reliability and efficiency in the presence of imperfections. We discuss how disorder and noise can impact these conditions, and illustrate our concerns with novel numerical simulations of a paradigmatic example: a disordered quantum spin chain governed by the Ising model in a transverse magnetic field. We find that disorder can decrease the reliability of an analog quantum simulator of this model, although large errors in local observables are introduced only for strong levels of disorder. We conclude that the answer to the question ‘Can we trust quantum simulators?’ is … to some extent.

Nonadiabatic Molecular Dynamics and Orthogonality Constrained Density Functional Theory

NASA Astrophysics Data System (ADS)

Shushkov, Philip Georgiev

The exact quantum dynamics of realistic, multidimensional systems remains a formidable computational challenge. In many chemical processes, however, quantum effects such as tunneling, zero-point energy quantization, and nonadiabatic transitions play an important role. Therefore, approximate approaches that improve on the classical mechanical framework are of special practical interest. We propose a novel ring polymer surface hopping method for the calculation of chemical rate constants. The method blends two approaches, namely ring polymer molecular dynamics that accounts for tunneling and zero-point energy quantization, and surface hopping that incorporates nonadiabatic transitions. We test the method against exact quantum mechanical calculations for a one-dimensional, two-state model system. The method reproduces quite accurately the tunneling contribution to the rate and the distribution of reactants between the electronic states for this model system. Semiclassical instanton theory, an approach related to ring polymer molecular dynamics, accounts for tunneling by the use of periodic classical trajectories on the inverted potential energy surface. We study a model of electron transfer in solution, a chemical process where nonadiabatic events are prominent. By representing the tunneling electron with a ring polymer, we derive Marcus theory of electron transfer from semiclassical instanton theory after a careful analysis of the tunneling mode. We demonstrate that semiclassical instanton theory can recover the limit of Fermi's Golden Rule rate in a low-temperature, deep-tunneling regime. Mixed quantum-classical dynamics treats a few important degrees of freedom quantum mechanically, while classical mechanics describes affordably the rest of the system. But the interface of quantum and classical description is a challenging theoretical problem, especially for low-energy chemical processes. We therefore focus on the semiclassical limit of the coupled nuclear-electronic dynamics. We show that the time-dependent Schrodinger equation for the electrons employed in the widely used fewest switches surface hopping method is applicable only in the limit of nearly identical classical trajectories on the different potential energy surfaces. We propose a short-time decoupling algorithm that restricts the use of the Schrodinger equation only to the interaction regions. We test the short-time approximation on three model systems against exact quantum-mechanical calculations. The approximation improves the performance of the surface hopping approach. Nonadiabatic molecular dynamics simulations require the efficient and accurate computation of ground and excited state potential energy surfaces. Unlike the ground state calculations where standard methods exist, the computation of excited state properties is a challenging task. We employ time-independent density functional theory, in which the excited state energy is represented as a functional of the total density. We suggest an adiabatic-like approximation that simplifies the excited state exchange-correlation functional. We also derive a set of minimal conditions to impose exactly the orthogonality of the excited state Kohn-Sham determinant to the ground state determinant. This leads to an efficient, variational algorithm for the self-consistent optimization of the excited state energy. Finally, we assess the quality of the excitation energies obtained by the new method on a set of 28 organic molecules. The new approach provides results of similar accuracy to time-dependent density functional theory.

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

PubMed Central

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko

2017-01-01

In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems. We analyze model systems in optical cavities, where the matter–photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born–Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron–photon dynamics. This work paves the way to describe matter–photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science. PMID:28275094

Quantum Landauer erasure with a molecular nanomagnet

NASA Astrophysics Data System (ADS)

Gaudenzi, R.; Burzurí, E.; Maegawa, S.; van der Zant, H. S. J.; Luis, F.

2018-06-01

The erasure of a bit of information is an irreversible operation whose minimal entropy production of kB ln 2 is set by the Landauer limit1. This limit has been verified in a variety of classical systems, including particles in traps2,3 and nanomagnets4. Here, we extend it to the quantum realm by using a crystal of molecular nanomagnets as a quantum spin memory and showing that its erasure is still governed by the Landauer principle. In contrast to classical systems, maximal energy efficiency is achieved while preserving fast operation owing to its high-speed spin dynamics. The performance of our spin register in terms of energy-time cost is orders of magnitude better than existing memory devices to date. The result shows that thermodynamics sets a limit on the energy cost of certain quantum operations and illustrates a way to enhance classical computations by using a quantum system.

Tunneling and speedup in quantum optimization for permutation-symmetric problems

DOE PAGES

Muthukrishnan, Siddharth; Albash, Tameem; Lidar, Daniel A.

2016-07-21

Tunneling is often claimed to be the key mechanism underlying possible speedups in quantum optimization via quantum annealing (QA), especially for problems featuring a cost function with tall and thin barriers. We present and analyze several counterexamples from the class of perturbed Hamming weight optimization problems with qubit permutation symmetry. We first show that, for these problems, the adiabatic dynamics that make tunneling possible should be understood not in terms of the cost function but rather the semiclassical potential arising from the spin-coherent path-integral formalism. We then provide an example where the shape of the barrier in the final costmore » function is short and wide, which might suggest no quantum advantage for QA, yet where tunneling renders QA superior to simulated annealing in the adiabatic regime. However, the adiabatic dynamics turn out not be optimal. Instead, an evolution involving a sequence of diabatic transitions through many avoided-level crossings, involving no tunneling, is optimal and outperforms adiabatic QA. We show that this phenomenon of speedup by diabatic transitions is not unique to this example, and we provide an example where it provides an exponential speedup over adiabatic QA. In yet another twist, we show that a classical algorithm, spin-vector dynamics, is at least as efficient as diabatic QA. Lastly, in a different example with a convex cost function, the diabatic transitions result in a speedup relative to both adiabatic QA with tunneling and classical spin-vector dynamics.« less

Tunneling and speedup in quantum optimization for permutation-symmetric problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muthukrishnan, Siddharth; Albash, Tameem; Lidar, Daniel A.

Tunneling is often claimed to be the key mechanism underlying possible speedups in quantum optimization via quantum annealing (QA), especially for problems featuring a cost function with tall and thin barriers. We present and analyze several counterexamples from the class of perturbed Hamming weight optimization problems with qubit permutation symmetry. We first show that, for these problems, the adiabatic dynamics that make tunneling possible should be understood not in terms of the cost function but rather the semiclassical potential arising from the spin-coherent path-integral formalism. We then provide an example where the shape of the barrier in the final costmore » function is short and wide, which might suggest no quantum advantage for QA, yet where tunneling renders QA superior to simulated annealing in the adiabatic regime. However, the adiabatic dynamics turn out not be optimal. Instead, an evolution involving a sequence of diabatic transitions through many avoided-level crossings, involving no tunneling, is optimal and outperforms adiabatic QA. We show that this phenomenon of speedup by diabatic transitions is not unique to this example, and we provide an example where it provides an exponential speedup over adiabatic QA. In yet another twist, we show that a classical algorithm, spin-vector dynamics, is at least as efficient as diabatic QA. Lastly, in a different example with a convex cost function, the diabatic transitions result in a speedup relative to both adiabatic QA with tunneling and classical spin-vector dynamics.« less

Generalized Geometric Quantum Speed Limits

NASA Astrophysics Data System (ADS)

Pires, Diego Paiva; Cianciaruso, Marco; Céleri, Lucas C.; Adesso, Gerardo; Soares-Pinto, Diogo O.

2016-04-01

The attempt to gain a theoretical understanding of the concept of time in quantum mechanics has triggered significant progress towards the search for faster and more efficient quantum technologies. One of such advances consists in the interpretation of the time-energy uncertainty relations as lower bounds for the minimal evolution time between two distinguishable states of a quantum system, also known as quantum speed limits. We investigate how the nonuniqueness of a bona fide measure of distinguishability defined on the quantum-state space affects the quantum speed limits and can be exploited in order to derive improved bounds. Specifically, we establish an infinite family of quantum speed limits valid for unitary and nonunitary evolutions, based on an elegant information geometric formalism. Our work unifies and generalizes existing results on quantum speed limits and provides instances of novel bounds that are tighter than any established one based on the conventional quantum Fisher information. We illustrate our findings with relevant examples, demonstrating the importance of choosing different information metrics for open system dynamics, as well as clarifying the roles of classical populations versus quantum coherences, in the determination and saturation of the speed limits. Our results can find applications in the optimization and control of quantum technologies such as quantum computation and metrology, and might provide new insights in fundamental investigations of quantum thermodynamics.

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com; WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577; Mori, Takashi

2016-04-15

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian onmore » the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.« less

Efficient quantum-classical method for computing thermal rate constant of recombination: application to ozone formation.

PubMed

Ivanov, Mikhail V; Babikov, Dmitri

2012-05-14

Efficient method is proposed for computing thermal rate constant of recombination reaction that proceeds according to the energy transfer mechanism, when an energized molecule is formed from reactants first, and is stabilized later by collision with quencher. The mixed quantum-classical theory for the collisional energy transfer and the ro-vibrational energy flow [M. Ivanov and D. Babikov, J. Chem. Phys. 134, 144107 (2011)] is employed to treat the dynamics of molecule + quencher collision. Efficiency is achieved by sampling simultaneously (i) the thermal collision energy, (ii) the impact parameter, and (iii) the incident direction of quencher, as well as (iv) the rotational state of energized molecule. This approach is applied to calculate third-order rate constant of the recombination reaction that forms the (16)O(18)O(16)O isotopomer of ozone. Comparison of the predicted rate vs. experimental result is presented.

Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

NASA Technical Reports Server (NTRS)

Sun, Yan; Kouri, Donald J.; Truhlar, Donald G.; Schwenke, David W.

1990-01-01

New basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.

Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations.

PubMed

Negre, Christian F A; Mniszewski, Susan M; Cawkwell, Marc J; Bock, Nicolas; Wall, Michael E; Niklasson, Anders M N

2016-07-12

We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive, iterative refinement of an initial guess of Z (inverse square root of the overlap matrix S). The initial guess of Z is obtained beforehand by using either an approximate divide-and-conquer technique or dynamical methods, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under the incomplete, approximate, iterative refinement of Z. Linear-scaling performance is obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables efficient shared-memory parallelization. As we show in this article using self-consistent density-functional-based tight-binding MD, our approach is faster than conventional methods based on the diagonalization of overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4158-atom water-solvated polyalanine system, we find an average speedup factor of 122 for the computation of Z in each MD step.

Controlling heat and particle currents in nanodevices by quantum observation

NASA Astrophysics Data System (ADS)

Biele, Robert; Rodríguez-Rosario, César A.; Frauenheim, Thomas; Rubio, Angel

2017-07-01

We demonstrate that in a standard thermo-electric nanodevice the current and heat flows are not only dictated by the temperature and potential gradient, but also by the external action of a local quantum observer that controls the coherence of the device. Depending on how and where the observation takes place, the direction of heat and particle currents can be independently controlled. In fact, we show that the current and heat flow in a quantum material can go against the natural temperature and voltage gradients. Dynamical quantum observation offers new possibilities for the control of quantum transport far beyond classical thermal reservoirs. Through the concept of local projections, we illustrate how we can create and directionality control the injection of currents (electronic and heat) in nanodevices. This scheme provides novel strategies to construct quantum devices with application in thermoelectrics, spintronic injection, phononics, and sensing among others. In particular, highly efficient and selective spin injection might be achieved by local spin projection techniques.

Quantum-to-classical crossover near quantum critical point

DOE PAGES

Vasin, M.; Ryzhov, V.; Vinokur, V. M.

2015-12-21

A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transitionmore » from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d+zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T)ε[0, 1] decreases with the temperature such that Λ(T=0) = 1 and Λ(T →∞) = 0. Lastly, our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.« less

Charge Carrier Dynamics of Quantum Confined Semiconductor Nanoparticles Analyzed via Transient Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Thibert, Arthur Joseph, III

Semiconductor nanoparticles are tiny crystalline structures (typically range from 1 - 100 nm) whose shape in many cases can be dictated through tailored chemical synthesis with atomic scale precision. The small size of these nanoparticles often results in quantum confinement (spatial confinement of wave functions), which imparts the ability to manipulate band-gap energies thus allowing them to be optimally engineered for different applications (i.e., photovoltaics, photocatalysis, imaging). However, charge carriers excited within these nanoparticles are often involved in many different processes: trapping, trap migration, Auger recombination, non-radiative relaxation, radiative relaxation, oxidation / reduction, or multiple exciton generation. Broadband ultrafast transient absorption laser spectroscopy is used to spectrally resolve the fate of excited charge carriers in both wavelength and time, providing insight as to what synthetic developments or operating conditions will be necessary to optimize their efficiency for certain applications. This thesis outlines the effort of resolving the dynamics of excited charge carriers for several Cd and Si based nanoparticle systems using this experimental technique. The thesis is organized into five chapters and two appendices as indicated below. Chapter 1 provides a brief introduction to the photophysics of semiconductor nanoparticles. It begins by defining what nanoparticles, semiconductors, charge carriers, and quantum confinement are. From there it details how the study of charge carrier dynamics within nanoparticles can lead to increased efficiency in applications such as photocatalysis. Finally, the experimental methodology associated with ultrafast transient absorption spectroscopy is introduced and its power in mapping charge carrier dynamics is established. Chapter 2 (JPCC, 19647, 2011) introduces the first of the studied samples: water-solubilized 2D CdSe nanoribbons (NRs), which were synthesized in the Osterloh laboratory (UCD). The measured signals were decomposed into the constituent dynamics of three transient populations: hot tightly bound excitons, relaxed tightly bound excitons, and separated trapped carriers (holes and electrons). The influenes of three external factors affecting the observed dynamics were explored: (1) excitation wavelength, (2) excitation fluence, and (3) presence of the hole scavenger HS -. Both higher-energy excitation photons and higher-intensity excitation induce slower relaxation of charge carriers to the band edge due to the need to dissipate excess excitation energy. Nonlinear decay kinetics of the relaxed exciton population is observed and demonstrated to arise from bimolecular trapping of excitons with low-density trap sites located at CdSe NR surface sites instead of the commonly resolved multiparticle Auger recombination mechanism. This is supported by the observed linear excitation-fluence dependence of the trapped-carrier population that is n umerically simulated and found to deviate from the excitation fluence dependence expected of Auger recombination kinetics. Introducing hole scavenging HS- has a negligible effect on the exciton kinetics, including migration and dissociation, and instead passivates surface trap states to induce the rapid elimination of holes after exciton dissociation. This increases the lifetime of the reactive electron population and increases measured photocatalytic H2 generation activity. A broad (200 nm) and persistent (20 ps) stimulated emission observed in the tightly bound excitons suggests their potential use as broadband microlasers. In chapter 3 (JPCL, 2688, 2011), the photocatalytic H2O splitting activities of CdSe and CdSe/CdS core/shell quantum dots, which were also synthesized in the Osterloh laboratory (UCD) are contrasted. CdSe/CdS core/shell quantum dots constructed from 4.0 nm CdSe quantum dots are shown to be strongly active for visible-light-driven photocatalytic H2 evolution in 0.1M Na 2S/Na2SO3 solution with a turnover number of 9.94 after 5 h at 103.9 μmol/h. CdSe quantum dots themselves are only marginally active in 0.1 M Na2S/Na2SO3 solution with a turnover number of 1.10 after 5 h at 11.53 μmol/h, while CdSe quantum dots in pure H2O are found to be completely inactive. Broad-band transient absorption spectroscopy is used to elucidate the mechanisms that facilitate the enhancement in the CdSe core/shell quantum dots, which is attributed to passivation of surface-deep trap states with energies lying below the reduction potential necessary for H2O reduction. Thus, it is shown that surface trapping dynamics and energetics can be manipulated to dictate the photocatalytic activities of novel CdSe quantum dot based photocatalytic materials. Chapter 4 builds upon this work examining the differences in dynamics that occur upon passivation of water soluble CdZnS alloy cores with ZnS shells, which were produced in the Snee laboratory (UI Chicago), via 400 nm pump broadband probe ultrafast transient absorption spectroscopy, and global analysis modeling. We also examine the perturbation invoked on charge carrier dynamics caused by growing Pd nanoparticles on the CdZnS/ZnS shell surface in-situ and note the cyclical charge carrier transfer that takes place. Both the CdZnS core and CdZnS/ZnS core/shell quantum dots exhibit unusually long lived excited states (much > 8 ns) while the CdZnS/ZnS.Pd tandem core/shell quantum dots recover much quicker (~3 ns). Additionally, ultrafast excitation fluence dependencies are used to characterize Auger recombination and the presence of two different trap state populations observable in the visible spectrum. In chapter 5 (JACS, 20664, 2011), we switch from examining direct band-gap chalcogenide based quantum dots to Si quantum dots synthesized in the Kauzlarich laboratory (UCD), which exhibit an indirect band-gap. Here a microwave-assisted reaction to produce hydrogen-terminated silicon quantum dots is discussed. The Si quantum dots were passivated for water solubility via two different methods: hydrosilylation produced 3-aminopropenyl-terminated Si quantum dots, and a modified Stöber process produced silica-encapsulated Si quantum dots. Both methods produce water-soluble quantum dots with maximum emission at 414 nm, and after purification, the quantum dots exhibit intrinsic fluorescence quantum yield efficiencies of 15 and 23%, respectively. Even though the quantum dots have different surfaces, they exhibit nearly identical absorption and fluorescence spectra. Femtosecond transient absorption spectroscopy was used for temporal resolution of the photoexcited carrier dynamics between the quantum dots and ligand. The transient dynamics of the 3-aminopropenyl-terminated Si quantum dots is interpreted as a formation and decay of a charge-transfer excited state between the delocalized π electrons of the carbon linker and the Si core excitons. This charge transfer state is stable for ~4 ns before reverting back to a more stable, long-living species. The silica-encapsulated Si QDs show a simpler spectrum without charge transfer dynamics. Appendix I (Chem. Mat., 1220, 2010), addresses the long-time (μs) transient kinetics associated with TiO2 and layered titanates (TBA2 2Ti4O9), which were synthesized in the Osterloh laboratory (UCD). Transient absorption data reveal that photogenerated electrons become trapped in mid band-gap states, from which they decay exponentially with a time-constant of 43.67 + 0.28 ms in titanates, which is much slower than the 68 + 1 ns observed for TiO2 nanocrystals. The slower kinetics observed for the TBA 2Ti4O9 nanosheets originates either from the presence of deeper trap sites on the sheets vs. the nanoparticles, more trap sites, or from more effective electron-hole separation because of the micrometer dimensions of the 2D lattice. Appendix II, depicts the visible solar spectrum at sea level detailing the percentage of photons and energy that exist within certain wavelength ranges.

Domain wall in a quantum anomalous Hall insulator as a magnetoelectric piston

NASA Astrophysics Data System (ADS)

Upadhyaya, Pramey; Tserkovnyak, Yaroslav

2016-07-01

We theoretically study the magnetoelectric coupling in a quantum anomalous Hall insulator state induced by interfacing a dynamic magnetization texture to a topological insulator. In particular, we propose that the quantum anomalous Hall insulator with a magnetic configuration of a domain wall, when contacted by electrical reservoirs, acts as a magnetoelectric piston. A moving domain wall pumps charge current between electrical leads in a closed circuit, while applying an electrical bias induces reciprocal domain-wall motion. This pistonlike action is enabled by a finite reflection of charge carriers via chiral modes imprinted by the domain wall. Moreover, we find that, when compared with the recently discovered spin-orbit torque-induced domain-wall motion in heavy metals, the reflection coefficient plays the role of an effective spin-Hall angle governing the efficiency of the proposed electrical control of domain walls. Quantitatively, this effective spin-Hall angle is found to approach a universal value of 2, providing an efficient scheme to reconfigure the domain-wall chiral interconnects for possible memory and logic applications.

Towards scalable quantum communication and computation: Novel approaches and realizations

NASA Astrophysics Data System (ADS)

Jiang, Liang

Quantum information science involves exploration of fundamental laws of quantum mechanics for information processing tasks. This thesis presents several new approaches towards scalable quantum information processing. First, we consider a hybrid approach to scalable quantum computation, based on an optically connected network of few-qubit quantum registers. Specifically, we develop a novel scheme for scalable quantum computation that is robust against various imperfections. To justify that nitrogen-vacancy (NV) color centers in diamond can be a promising realization of the few-qubit quantum register, we show how to isolate a few proximal nuclear spins from the rest of the environment and use them for the quantum register. We also demonstrate experimentally that the nuclear spin coherence is only weakly perturbed under optical illumination, which allows us to implement quantum logical operations that use the nuclear spins to assist the repetitive-readout of the electronic spin. Using this technique, we demonstrate more than two-fold improvement in signal-to-noise ratio. Apart from direct application to enhance the sensitivity of the NV-based nano-magnetometer, this experiment represents an important step towards the realization of robust quantum information processors using electronic and nuclear spin qubits. We then study realizations of quantum repeaters for long distance quantum communication. Specifically, we develop an efficient scheme for quantum repeaters based on atomic ensembles. We use dynamic programming to optimize various quantum repeater protocols. In addition, we propose a new protocol of quantum repeater with encoding, which efficiently uses local resources (about 100 qubits) to identify and correct errors, to achieve fast one-way quantum communication over long distances. Finally, we explore quantum systems with topological order. Such systems can exhibit remarkable phenomena such as quasiparticles with anyonic statistics and have been proposed as candidates for naturally error-free quantum computation. We propose a scheme to unambiguously detect the anyonic statistics in spin lattice realizations using ultra-cold atoms in an optical lattice. We show how to reliably read and write topologically protected quantum memory using an atomic or photonic qubit.

Carrier multiplication and charge transport in artificial quantum-dot solids probed by ultrafast photocurrent spectroscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Klimov, Victor I.

2017-05-01

Understanding and controlling carrier transport and recombination dynamics in colloidal quantum dot films is key to their application in electronic and optoelectronic devices. Towards this end, we have conducted transient photocurrent measurements to monitor transport through quantum confined band edge states in lead selenide quantum dots films as a function of pump fluence, temperature, electrical bias, and surface treatment. Room temperature dynamics reveal two distinct timescales of intra-dot geminate processes followed by non-geminate inter-dot processes. The non-geminate kinetics is well described by the recombination of holes with photoinjected and pre-existing electrons residing in mid-gap states. We find the mobility of the quantum-confined states shows no temperature dependence down to 6 K, indicating a tunneling mechanism of early time photoconductance. We present evidence of the importance of the exciton fine structure in controlling the low temperature photoconductance, whereby the nanoscale enhanced exchange interaction between electrons and holes in quantum dots introduces a barrier to charge separation. Finally, side-by-side comparison of photocurrent transients using excitation with low- and high-photon energies (1.5 vs. 3.0 eV) reveals clear signatures of carrier multiplication (CM), that is, generation of multiple excitons by single photons. Based on photocurrent measurements of quantum dot solids and optical measurements of solution based samples, we conclude that the CM efficiency is unaffected by strong inter-dot coupling. Therefore, the results of previous numerous spectroscopic CM studies conducted on dilute quantum dot suspensions should, in principle, be reproducible in electronically coupled QD films used in devices.

Thermal quantum time-correlation functions from classical-like dynamics

NASA Astrophysics Data System (ADS)

Hele, Timothy J. H.

2017-07-01

Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first principles. Since the exact quantum solution scales exponentially with system size, there has been considerable effort in formulating reliable linear-scaling methods involving exact quantum statistics and approximate quantum dynamics modelled with classical-like trajectories. Here, we review recent progress in the field with the development of methods including centroid molecular dynamics , ring polymer molecular dynamics (RPMD) and thermostatted RPMD (TRPMD). We show how these methods have recently been obtained from 'Matsubara dynamics', a form of semiclassical dynamics which conserves the quantum Boltzmann distribution. We also apply the Matsubara formalism to reaction rate theory, rederiving t → 0+ quantum transition-state theory (QTST) and showing that Matsubara-TST, like RPMD-TST, is equivalent to QTST. We end by surveying areas for future progress.

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

NASA Astrophysics Data System (ADS)

Basire, Marie; Mouhat, Félix; Fraux, Guillaume; Bordage, Amélie; Hazemann, Jean-Louis; Louvel, Marion; Spezia, Riccardo; Bonella, Sara; Vuilleumier, Rodolphe

2017-04-01

Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double peaks are present because they can have different origins. Fermi dyads are a common class of such doublets, stemming from the resonance of the fundamental excitation of a mode with the overtone of another. We present a new, efficient approach to unambiguously characterize Fermi resonances in density functional theory (DFT) based simulations of condensed phase systems. With it, the spectral features can be assigned and the two resonating modes identified. We also show how data from DFT simulations employing classical nuclear dynamics can be post-processed and combined with a perturbative quantum treatment at a finite temperature to include analytically thermal quantum nuclear effects. The inclusion of these effects is crucial to correct some of the qualitative failures of the Newtonian dynamics simulations at a low temperature such as, in particular, the behavior of the frequency splitting of the Fermi dyad. We show, by comparing with experimental data for the paradigmatic case of supercritical CO2, that these thermal quantum effects can be substantial even at ambient conditions and that our scheme provides an accurate and computationally convenient approach to account for them.

Soliton Gases and Generalized Hydrodynamics

NASA Astrophysics Data System (ADS)

Doyon, Benjamin; Yoshimura, Takato; Caux, Jean-Sébastien

2018-01-01

We show that the equations of generalized hydrodynamics (GHD), a hydrodynamic theory for integrable quantum systems at the Euler scale, emerge in full generality in a family of classical gases, which generalize the gas of hard rods. In this family, the particles, upon colliding, jump forward or backward by a distance that depends on their velocities, reminiscent of classical soliton scattering. This provides a "molecular dynamics" for GHD: a numerical solver which is efficient, flexible, and which applies to the presence of external force fields. GHD also describes the hydrodynamics of classical soliton gases. We identify the GHD of any quantum model with that of the gas of its solitonlike wave packets, thus providing a remarkable quantum-classical equivalence. The theory is directly applicable, for instance, to integrable quantum chains and to the Lieb-Liniger model realized in cold-atom experiments.

Microscopic model for intersubband gain from electrically pumped quantum-dot structures

DOE PAGES

Michael, Stephan; Chow, Weng Wah; Schneider, Han Christian

2014-10-03

We study theoretically the performance of electrically pumped self-organized quantum dots as a gain material in the mid-infrared range at room temperature. We analyze an AlGaAs/InGaAs based structure composed of dots-in-a-well sandwiched between two quantum wells. We numerically analyze a comprehensive model by combining a many-particle approach for electronic dynamics with a realistic modeling of the electronic states in the whole structure. We investigate the gain both for quasi-equilibrium conditions and current injection. We find, comparing different structures, that steady-state gain can only be realized by an efficient extraction process, which prevents an accumulation of electrons in continuum states, thatmore » make the available scattering pathways through the quantum-dot active region too fast to sustain inversion.« less

Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules

NASA Astrophysics Data System (ADS)

Spinlove, K. E.; Vacher, M.; Bearpark, M.; Robb, M. A.; Worth, G. A.

2017-01-01

Recent work, particularly by Cederbaum and co-workers, has identified the phenomenon of charge migration, whereby charge flow occurs over a static molecular framework after the creation of an electronic wavepacket. In a real molecule, this charge migration competes with charge transfer, whereby the nuclear motion also results in the re-distribution of charge. To study this competition, quantum dynamics simulations need to be performed. To break the exponential scaling of standard grid-based algorithms, approximate methods need to be developed that are efficient yet able to follow the coupled electronic-nuclear motion of these systems. Using a simple model Hamiltonian based on the ionisation of the allene molecule, the performance of different methods based on Gaussian Wavepackets is demonstrated.

A unified electrostatic and cavitation model for first-principles molecular dynamics in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scherlis, D A; Fattebert, J; Gygi, F

2005-11-14

The electrostatic continuum solvent model developed by Fattebert and Gygi is combined with a first-principles formulation of the cavitation energy based on a natural quantum-mechanical definition for the surface of a solute. Despite its simplicity, the cavitation contribution calculated by this approach is found to be in remarkable agreement with that obtained by more complex algorithms relying on a large set of parameters. The model allows for very efficient Car-Parrinello simulations of finite or extended systems in solution, and demonstrates a level of accuracy as good as that of established quantum-chemistry continuum solvent methods. They apply this approach to themore » study of tetracyanoethylene dimers in dichloromethane, providing valuable structural and dynamical insights on the dimerization phenomenon.« less

Investigation of Strain-Relaxation Characteristics of Nitrides Grown on Si(110) by Metalorganic Chemical Vapor Deposition Using X-ray Diffraction

NASA Astrophysics Data System (ADS)

Jiang, Quanzhong; Lewins, Christopher J.; Allsopp, Duncan W. E.; Bowen, Chris R.; Wang, Wang N.

2013-08-01

This paper describes the effect of an interfacial biaxial stress field on the dislocation formation dynamics during epitaxial growth of nitrides on Si(110). The anisotropic mismatch stress between a 2-fold symmetry Si(110) atomic plane and the AlN basal plane of 6-fold symmetry may be relaxed through the creation of additional characteristic dislocations, as proposed by Ruiz-Zepeda et al. with Burgers vectors: b= 1/2[bar 2110] and b= [1bar 210], +/-60° from [11bar 20]. The dislocations generated under such a biaxial stress field appear annihilating more efficiently with increasing thickness, leading to high-quality nitride epilayers on Si(110) for improved quantum efficiency of InGaN/GaN quantum wells.

Velocity map imaging using an in-vacuum pixel detector.

PubMed

Gademann, Georg; Huismans, Ymkje; Gijsbertsen, Arjan; Jungmann, Julia; Visschers, Jan; Vrakking, Marc J J

2009-10-01

The use of a new type in-vacuum pixel detector in velocity map imaging (VMI) is introduced. The Medipix2 and Timepix semiconductor pixel detectors (256 x 256 square pixels, 55 x 55 microm2) are well suited for charged particle detection. They offer high resolution, low noise, and high quantum efficiency. The Medipix2 chip allows double energy discrimination by offering a low and a high energy threshold. The Timepix detector allows to record the incidence time of a particle with a temporal resolution of 10 ns and a dynamic range of 160 micros. Results of the first time application of the Medipix2 detector to VMI are presented, investigating the quantum efficiency as well as the possibility to operate at increased background pressure in the vacuum chamber.

Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

NASA Astrophysics Data System (ADS)

Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

2016-04-01

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

Czech cryogenic fluid dynamics inspired by Russ Donnelly

NASA Astrophysics Data System (ADS)

Skrbek, Ladislav

2015-11-01

Following nearly five years of work along with Russ in Eugene on cryogenic turbulent convection and quantum grid turbulence, two laboratories in Prague and in Brno have been established to continue experimental research in cryogenic fluid dynamics using all three forms of cryogenic 4He - cold helium gas, normal liquid He I and superfluid He - as excellent multi-purpose working fluids. We review some of our investigations of very high Rayleigh number cryogenic thermal convection and classical and quantum turbulence in liquid helium. In particular, we discuss heat transfer efficiency of turbulent Rayleigh-Benard convection and the role of non-Oberbeck-Boussinesq conditions on possible transition to its ultimate regime; our second sound attenuation experiments probing both steady state and decaying coflow, counterflow and pure superflow of He II through channels of square cross-section including the concept of effective kinematic viscosity. We then introduce visualization experiments of classical and quantum flows of liquid helium using micron-size hydogen/deuterium particles and our recent results on transition to quantum turbulence based on the revisited experiments with a torsionally oscillating disc. Supported by GACR P203/11/0442 and 203/14/02005S.

A novel near-infrared nanomaterial with high quantum efficiency and its applications in real time in vivo imaging

NASA Astrophysics Data System (ADS)

Cui, X. X.; Fan, Q.; Shi, S. J.; Wen, W. H.; Chen, D. F.; Guo, H. T.; Xu, Y. T.; Gao, F.; Nie, R. Z.; Ford, Harold D.; Tang, Gordon H.; Hou, C. Q.; Peng, B.

2018-05-01

Fluorescence imaging signal is severely limited by the quantum efficiency and emission wavelength. To overcome these challenges, novel NIR-emitting K5NdLi2F10 nanoparticles under NIR excitation was introduced as fluorescence imaging probe for the first time. The photostability of K5NdLi2F10 nanoparticles in the water, phosphate buffer saline, fetal bovine serum and living mice was investigated. The fluorescence signal was detected with depths of 3.5 and 2.0 cm in phantom and pork tissue, respectively. Fluorescence spectrum with a significant signal-to-background ratio of 10:1 was captured in living mice. Moreover, clear NIR images were virtualized for the living mice after intravenous injection. The imaging ability of nanoparticles in tumor-beard mice were evaluated, the enrichment of K5NdLi2F10 nanoparticles in tumor site due to the enhanced permeability and retention effect was confirmed. The systematic studies of toxicity, bio-distribution and in-vivo dynamic imaging suggest that these materials give high biocompatibility and low toxicity. These NIR-emitting nanoparticles with high quantum efficiency, high penetration and low toxicity might facilitate tumor identification in deep tissues more sensitively.

A novel near-infrared nanomaterial with high quantum efficiency and its applications in real time in vivo imaging.

PubMed

Cui, X X; Fan, Q; Shi, S J; Wen, W H; Chen, D F; Guo, H T; Xu, Y T; Gao, F; Nie, R Z; Ford, Harold D; Tang, Gordon H; Hou, C Q; Peng, B

2018-05-18

Fluorescence imaging signal is severely limited by the quantum efficiency and emission wavelength. To overcome these challenges, novel NIR-emitting K 5 NdLi 2 F 10 nanoparticles under NIR excitation was introduced as fluorescence imaging probe for the first time. The photostability of K 5 NdLi 2 F 10 nanoparticles in the water, phosphate buffer saline, fetal bovine serum and living mice was investigated. The fluorescence signal was detected with depths of 3.5 and 2.0 cm in phantom and pork tissue, respectively. Fluorescence spectrum with a significant signal-to-background ratio of 10:1 was captured in living mice. Moreover, clear NIR images were virtualized for the living mice after intravenous injection. The imaging ability of nanoparticles in tumor-beard mice were evaluated, the enrichment of K 5 NdLi 2 F 10 nanoparticles in tumor site due to the enhanced permeability and retention effect was confirmed. The systematic studies of toxicity, bio-distribution and in-vivo dynamic imaging suggest that these materials give high biocompatibility and low toxicity. These NIR-emitting nanoparticles with high quantum efficiency, high penetration and low toxicity might facilitate tumor identification in deep tissues more sensitively.

Narrow Energy Gap between Triplet and Singlet Excited States of Sn2+ in Borate Glass

PubMed Central

Masai, Hirokazu; Yamada, Yasuhiro; Suzuki, Yuto; Teramura, Kentaro; Kanemitsu, Yoshihiko; Yoko, Toshinobu

2013-01-01

Transparent inorganic luminescent materials have attracted considerable scientific and industrial attention recently because of their high chemical durability and formability. However, photoluminescence dynamics of ns2-type ions in oxide glasses has not been well examined, even though they can exhibit high quantum efficiency. We report on the emission property of Sn2+-doped strontium borate glasses. Photoluminescence dynamics studies show that the peak energy of the emission spectrum changes with time because of site distribution of emission centre in glass. It is also found that the emission decay of the present glass consists of two processes: a faster S1-S0 transition and a slower T1-S0 relaxation, and also that the energy difference between T1 and S1 states was found to be much smaller than that of (Sn, Sr)B6O10 crystals. We emphasize that the narrow energy gap between the S1 and T1 states provides the glass phosphor a high quantum efficiency, comparable to commercial crystalline phosphors. PMID:24345869

Computation and Dynamics: Classical and Quantum

NASA Astrophysics Data System (ADS)

Kisil, Vladimir V.

2010-05-01

We discuss classical and quantum computations in terms of corresponding Hamiltonian dynamics. This allows us to introduce quantum computations which involve parallel processing of both: the data and programme instructions. Using mixed quantum-classical dynamics we look for a full cost of computations on quantum computers with classical terminals.

Colloquium: Non-Markovian dynamics in open quantum systems

NASA Astrophysics Data System (ADS)

Breuer, Heinz-Peter; Laine, Elsi-Mari; Piilo, Jyrki; Vacchini, Bassano

2016-04-01

The dynamical behavior of open quantum systems plays a key role in many applications of quantum mechanics, examples ranging from fundamental problems, such as the environment-induced decay of quantum coherence and relaxation in many-body systems, to applications in condensed matter theory, quantum transport, quantum chemistry, and quantum information. In close analogy to a classical Markovian stochastic process, the interaction of an open quantum system with a noisy environment is often modeled phenomenologically by means of a dynamical semigroup with a corresponding time-independent generator in Lindblad form, which describes a memoryless dynamics of the open system typically leading to an irreversible loss of characteristic quantum features. However, in many applications open systems exhibit pronounced memory effects and a revival of genuine quantum properties such as quantum coherence, correlations, and entanglement. Here recent theoretical results on the rich non-Markovian quantum dynamics of open systems are discussed, paying particular attention to the rigorous mathematical definition, to the physical interpretation and classification, as well as to the quantification of quantum memory effects. The general theory is illustrated by a series of physical examples. The analysis reveals that memory effects of the open system dynamics reflect characteristic features of the environment which opens a new perspective for applications, namely, to exploit a small open system as a quantum probe signifying nontrivial features of the environment it is interacting with. This Colloquium further explores the various physical sources of non-Markovian quantum dynamics, such as structured environmental spectral densities, nonlocal correlations between environmental degrees of freedom, and correlations in the initial system-environment state, in addition to developing schemes for their local detection. Recent experiments addressing the detection, quantification, and control of non-Markovian quantum dynamics are also briefly discussed.

Efficient quantum computing using coherent photon conversion.

PubMed

Langford, N K; Ramelow, S; Prevedel, R; Munro, W J; Milburn, G J; Zeilinger, A

2011-10-12

Single photons are excellent quantum information carriers: they were used in the earliest demonstrations of entanglement and in the production of the highest-quality entanglement reported so far. However, current schemes for preparing, processing and measuring them are inefficient. For example, down-conversion provides heralded, but randomly timed, single photons, and linear optics gates are inherently probabilistic. Here we introduce a deterministic process--coherent photon conversion (CPC)--that provides a new way to generate and process complex, multiquanta states for photonic quantum information applications. The technique uses classically pumped nonlinearities to induce coherent oscillations between orthogonal states of multiple quantum excitations. One example of CPC, based on a pumped four-wave-mixing interaction, is shown to yield a single, versatile process that provides a full set of photonic quantum processing tools. This set satisfies the DiVincenzo criteria for a scalable quantum computing architecture, including deterministic multiqubit entanglement gates (based on a novel form of photon-photon interaction), high-quality heralded single- and multiphoton states free from higher-order imperfections, and robust, high-efficiency detection. It can also be used to produce heralded multiphoton entanglement, create optically switchable quantum circuits and implement an improved form of down-conversion with reduced higher-order effects. Such tools are valuable building blocks for many quantum-enabled technologies. Finally, using photonic crystal fibres we experimentally demonstrate quantum correlations arising from a four-colour nonlinear process suitable for CPC and use these measurements to study the feasibility of reaching the deterministic regime with current technology. Our scheme, which is based on interacting bosonic fields, is not restricted to optical systems but could also be implemented in optomechanical, electromechanical and superconducting systems with extremely strong intrinsic nonlinearities. Furthermore, exploiting higher-order nonlinearities with multiple pump fields yields a mechanism for multiparty mediation of the complex, coherent dynamics.

Hybrid annealing: Coupling a quantum simulator to a classical computer

NASA Astrophysics Data System (ADS)

Graß, Tobias; Lewenstein, Maciej

2017-05-01

Finding the global minimum in a rugged potential landscape is a computationally hard task, often equivalent to relevant optimization problems. Annealing strategies, either classical or quantum, explore the configuration space by evolving the system under the influence of thermal or quantum fluctuations. The thermal annealing dynamics can rapidly freeze the system into a low-energy configuration, and it can be simulated well on a classical computer, but it easily gets stuck in local minima. Quantum annealing, on the other hand, can be guaranteed to find the true ground state and can be implemented in modern quantum simulators; however, quantum adiabatic schemes become prohibitively slow in the presence of quasidegeneracies. Here, we propose a strategy which combines ideas from simulated annealing and quantum annealing. In such a hybrid algorithm, the outcome of a quantum simulator is processed on a classical device. While the quantum simulator explores the configuration space by repeatedly applying quantum fluctuations and performing projective measurements, the classical computer evaluates each configuration and enforces a lowering of the energy. We have simulated this algorithm for small instances of the random energy model, showing that it potentially outperforms both simulated thermal annealing and adiabatic quantum annealing. It becomes most efficient for problems involving many quasidegenerate ground states.

Steering Quantum Dynamics of a Two-Qubit System via Optimal Bang-Bang Control

NASA Astrophysics Data System (ADS)

Hu, Juju; Ke, Qiang; Ji, Yinghua

2018-02-01

The optimization of control time for quantum systems has been an important field of control science attracting decades of focus, which is beneficial for efficiency improvement and decoherence suppression caused by the environment. Based on analyzing the advantages and disadvantages of the existing Lyapunov control, using a bang-bang optimal control technique, we investigate the fast state control in a closed two-qubit quantum system, and give three optimized control field design methods. Numerical simulation experiments indicate the effectiveness of the methods. Compared to the standard Lyapunov control or standard bang-bang control method, the optimized control field design methods effectively shorten the state control time and avoid high-frequency oscillation that occurs in bang-bang control.

Novel Photovoltaic Devices Using Ferroelectric Material and Colloidal Quantum Dots

NASA Astrophysics Data System (ADS)

Paik, Young Hun

As the global concern for the financial and environmental costs of traditional energy resources increases, research on renewable energy, most notably solar energy, has taken center stage. Many alternative photovoltaic (PV) technologies for 'the next generation solar cell' have been extensively studied to overcome the Shockley-Queisser 31% efficiency limit as well as tackle the efficiency vs. cost issues. This dissertation focuses on the novel photovoltaic mechanism for the next generation solar cells using two inorganic nanomaterials, nanocrystal quantum dots and ferroelectric nanoparticles. Lead zirconate titanate (PZT) materials are widely studied and easy to synthesize using solution based chemistry. One of the fascinating properties of the PZT material is a Bulk Photovoltaic effect (BPVE). This property has been spotlighted because it can produce very high open circuit voltage regardless of the electrical bandgap of the materials. However, the poor optical absorption of the PZT materials and the required high temperature to form the ferroelectric crystalline structure have been obstacles to fabricate efficient photovoltaic devices. Colloidal quantum dots also have fascinating optical and electrical properties such as tailored absorption spectrum, capability of the bandgap engineering due to the wide range of material selection and quantum confinement, and very efficient carrier dynamics called multiple exciton generations. In order to utilize these properties, many researchers have put numerous efforts in colloidal quantum dot photovoltaic research and there has been remarkable progress in the past decade. However, several drawbacks are still remaining to achieve highly efficient photovoltaic device. Traps created on the large surface area, low carrier mobility, and lower open circuit voltage while increasing the absorption of the solar spectrum is main issues of the nanocrystal based photovoltaic effect. To address these issues and to take the advantages of the two materials, this dissertation focused on material synthesis for low cost solution process for both materials, fabrication of various device structures and electrical/optical characterization to understand the underlying physics. We successfully demonstrated lead sulfide quantum dots (PbS QDs) and lead zirconate titanate nanoparticles (PZT NPs) in an aqueous solution and fabricated a photosensitive device. Solution based low-temperature process was used to fabricate a PbS QD and a PZT NP device. We exhibited a superior photoresponse and ferroelectric photovoltaic properties with the novel PZT NP device and studied the physics on domain wall effect and internal polarity effect. PZT NP was mainly investigated because PZT NP device is the first report as a photosensitive device with a successful property demonstration, as we know of. PZT's crystalline structure and the size of the nanocrystals were studied using X-ray diffraction and TEM (Transmission electron microscopy) respectively. We observed < 100 nm of PZT NPs and this result matched with DLS (dynamic light scattering) measurement. We fabricated ferroelectric devices using the PZT NPs for the various optical and electrical characterizations and verified ferroelectric properties including ferroelectric hysteresis loop. We also observed a typical ferroelectric photovoltaic effect from a PZT NP based device which was fabricated on an ITO substrate. We synthesized colloidal quantum dots (CQD) with the inexpensive soluble process. Fabricated PbS QD was used for the hybrid device with PZT thin films. J-V measured and the result shows superior open circuit voltage characteristics compared to conventional PbS QD PV devices, and resulting the improvement of the solar cell efficiency. This Ferroelectrics and Quantum Dots (FE-QDs) device also the first trial and the success as we know of.

Geometric reduction of dynamical nonlocality in nanoscale quantum circuits.

PubMed

Strambini, E; Makarenko, K S; Abulizi, G; de Jong, M P; van der Wiel, W G

2016-01-06

Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young's double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing.

Fast optical cooling of a nanomechanical cantilever by a dynamical Stark-shift gate.

PubMed

Yan, Leilei; Zhang, Jian-Qi; Zhang, Shuo; Feng, Mang

2015-10-12

The efficient cooling of nanomechanical resonators is essential to exploration of quantum properties of the macroscopic or mesoscopic systems. We propose such a laser-cooling scheme for a nanomechanical cantilever, which works even for the low-frequency mechanical mode and under weak cooling lasers. The cantilever is coupled by a diamond nitrogen-vacancy center under a strong magnetic field gradient and the cooling is assisted by a dynamical Stark-shift gate. Our scheme can effectively enhance the desired cooling efficiency by avoiding the off-resonant and undesired carrier transitions, and thereby cool the cantilever down to the vicinity of the vibrational ground state in a fast fashion.

Fast optical cooling of a nanomechanical cantilever by a dynamical Stark-shift gate

PubMed Central

Yan, Leilei; Zhang, Jian-Qi; Zhang, Shuo; Feng, Mang

2015-01-01

The efficient cooling of nanomechanical resonators is essential to exploration of quantum properties of the macroscopic or mesoscopic systems. We propose such a laser-cooling scheme for a nanomechanical cantilever, which works even for the low-frequency mechanical mode and under weak cooling lasers. The cantilever is coupled by a diamond nitrogen-vacancy center under a strong magnetic field gradient and the cooling is assisted by a dynamical Stark-shift gate. Our scheme can effectively enhance the desired cooling efficiency by avoiding the off-resonant and undesired carrier transitions, and thereby cool the cantilever down to the vicinity of the vibrational ground state in a fast fashion. PMID:26455901

Faithful Solid State Optical Memory with Dynamically Decoupled Spin Wave Storage

NASA Astrophysics Data System (ADS)

Lovrić, Marko; Suter, Dieter; Ferrier, Alban; Goldner, Philippe

2013-07-01

We report a high fidelity optical memory in which dynamical decoupling is used to extend the storage time. This is demonstrated in a rare-earth doped crystal in which optical coherences were transferred to nuclear spin coherences and then protected against environmental noise by dynamical decoupling, leading to storage times of up to 4.2 ms. An interference experiment shows that relative phases of input pulses are preserved through the whole storage and retrieval process with a visibility ≈1, demonstrating the usefulness of dynamical decoupling for extending the storage time of quantum memories. We also show that dynamical decoupling sequences insensitive to initial spin coherence increase retrieval efficiency.

Faithful solid state optical memory with dynamically decoupled spin wave storage.

PubMed

Lovrić, Marko; Suter, Dieter; Ferrier, Alban; Goldner, Philippe

2013-07-12

We report a high fidelity optical memory in which dynamical decoupling is used to extend the storage time. This is demonstrated in a rare-earth doped crystal in which optical coherences were transferred to nuclear spin coherences and then protected against environmental noise by dynamical decoupling, leading to storage times of up to 4.2 ms. An interference experiment shows that relative phases of input pulses are preserved through the whole storage and retrieval process with a visibility ≈1, demonstrating the usefulness of dynamical decoupling for extending the storage time of quantum memories. We also show that dynamical decoupling sequences insensitive to initial spin coherence increase retrieval efficiency.

Vibrational cooling of spin-stretched dimer states by He buffer gas: quantum calculations for Li2(a 3Sigma(u)+) at ultralow energies.

PubMed

Bovino, S; Bodo, E; Yurtsever, E; Gianturco, F A

2008-06-14

The interaction between the triplet state of the lithium dimer, (7)Li(2), with (4)He is obtained from accurate ab initio calculations where the vibrational dependence of the potential is newly computed. Vibrational quenching dynamics within a coupled-channel quantum treatment is carried out at ultralow energies, and large differences in efficiency as a function of the initial vibrational state of the targets are found as one compares the triplet results with those of the singlet state of the same target.

Enhanced energy transport in genetically engineered excitonic networks.

PubMed

Park, Heechul; Heldman, Nimrod; Rebentrost, Patrick; Abbondanza, Luigi; Iagatti, Alessandro; Alessi, Andrea; Patrizi, Barbara; Salvalaggio, Mario; Bussotti, Laura; Mohseni, Masoud; Caruso, Filippo; Johnsen, Hannah C; Fusco, Roberto; Foggi, Paolo; Scudo, Petra F; Lloyd, Seth; Belcher, Angela M

2016-02-01

One of the challenges for achieving efficient exciton transport in solar energy conversion systems is precise structural control of the light-harvesting building blocks. Here, we create a tunable material consisting of a connected chromophore network on an ordered biological virus template. Using genetic engineering, we establish a link between the inter-chromophoric distances and emerging transport properties. The combination of spectroscopy measurements and dynamic modelling enables us to elucidate quantum coherent and classical incoherent energy transport at room temperature. Through genetic modifications, we obtain a significant enhancement of exciton diffusion length of about 68% in an intermediate quantum-classical regime.

Charge coupled devices vs. microchannel plates in the extreme and far ultraviolet - A comparison based on the latest laboratory measurements

NASA Technical Reports Server (NTRS)

Vallerga, J.; Lampton, M.

1988-01-01

While microchannel plates (MCPs) have been established as imaging photon counters in the EUV and FUV for some years, CCDs are associated with low light level sensing at visible and near-IR wavelengths. Attention is presently given to recent proposals for CCDs' use as EUV and FUV detectors with quantum efficiencies sometimes exceeding those of MCPs; quantum resolution, format size, dynamic range, and long-term stability are also used as bases of comparison, for the cases of both space-based astronomical and spectroscopic applications.

Many-Body Theory of Proton-Generated Point Defects for Losses of Electron Energy and Photons in Quantum Wells

NASA Astrophysics Data System (ADS)

Huang, Danhong; Iurov, Andrii; Gao, Fei; Gumbs, Godfrey; Cardimona, D. A.

2018-02-01

The effects of point defects on the loss of either energies of ballistic electron beams or incident photons are studied by using a many-body theory in a multi-quantum-well system. This theory includes the defect-induced vertex correction to a bare polarization function of electrons within the ladder approximation, and the intralayer and interlayer screening of defect-electron interactions is also taken into account in the random-phase approximation. The numerical results of defect effects on both energy-loss and optical-absorption spectra are presented and analyzed for various defect densities, numbers of quantum wells, and wave vectors. The diffusion-reaction equation is employed for calculating distributions of point defects in a layered structure. For completeness, the production rate for Frenkel-pair defects and their initial concentration are obtained based on atomic-level molecular-dynamics simulations. By combining the defect-effect, diffusion-reaction, and molecular-dynamics models with an available space-weather-forecast model, it will be possible in the future to enable specific designing for electronic and optoelectronic quantum devices that will be operated in space with radiation-hardening protection and, therefore, effectively extend the lifetime of these satellite onboard electronic and optoelectronic devices. Specifically, this theory can lead to a better characterization of quantum-well photodetectors not only for high quantum efficiency and low dark current density but also for radiation tolerance or mitigating the effects of the radiation.

Wigner flow reveals topological order in quantum phase space dynamics.

PubMed

Steuernagel, Ole; Kakofengitis, Dimitris; Ritter, Georg

2013-01-18

The behavior of classical mechanical systems is characterized by their phase portraits, the collections of their trajectories. Heisenberg's uncertainty principle precludes the existence of sharply defined trajectories, which is why traditionally only the time evolution of wave functions is studied in quantum dynamics. These studies are quite insensitive to the underlying structure of quantum phase space dynamics. We identify the flow that is the quantum analog of classical particle flow along phase portrait lines. It reveals hidden features of quantum dynamics and extra complexity. Being constrained by conserved flow winding numbers, it also reveals fundamental topological order in quantum dynamics that has so far gone unnoticed.

Approximate reversibility in the context of entropy gain, information gain, and complete positivity

NASA Astrophysics Data System (ADS)

Buscemi, Francesco; Das, Siddhartha; Wilde, Mark M.

2016-06-01

There are several inequalities in physics which limit how well we can process physical systems to achieve some intended goal, including the second law of thermodynamics, entropy bounds in quantum information theory, and the uncertainty principle of quantum mechanics. Recent results provide physically meaningful enhancements of these limiting statements, determining how well one can attempt to reverse an irreversible process. In this paper, we apply and extend these results to give strong enhancements to several entropy inequalities, having to do with entropy gain, information gain, entropic disturbance, and complete positivity of open quantum systems dynamics. Our first result is a remainder term for the entropy gain of a quantum channel. This result implies that a small increase in entropy under the action of a subunital channel is a witness to the fact that the channel's adjoint can be used as a recovery map to undo the action of the original channel. We apply this result to pure-loss, quantum-limited amplifier, and phase-insensitive quantum Gaussian channels, showing how a quantum-limited amplifier can serve as a recovery from a pure-loss channel and vice versa. Our second result regards the information gain of a quantum measurement, both without and with quantum side information. We find here that a small information gain implies that it is possible to undo the action of the original measurement if it is efficient. The result also has operational ramifications for the information-theoretic tasks known as measurement compression without and with quantum side information. Our third result shows that the loss of Holevo information caused by the action of a noisy channel on an input ensemble of quantum states is small if and only if the noise can be approximately corrected on average. We finally establish that the reduced dynamics of a system-environment interaction are approximately completely positive and trace preserving if and only if the data processing inequality holds approximately.

Material Phase Causality or a Dynamics-Statistical Interpretation of Quantum Mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koprinkov, I. G.

2010-11-25

The internal phase dynamics of a quantum system interacting with an electromagnetic field is revealed in details. Theoretical and experimental evidences of a causal relation of the phase of the wave function to the dynamics of the quantum system are presented sistematically for the first time. A dynamics-statistical interpretation of the quantum mechanics is introduced.

Towards Efficient and Accurate Description of Many-Electron Problems: Developments of Static and Time-Dependent Electronic Structure Methods

NASA Astrophysics Data System (ADS)

Ding, Feizhi

Understanding electronic behavior in molecular and nano-scale systems is fundamental to the development and design of novel technologies and materials for application in a variety of scientific contexts from fundamental research to energy conversion. This dissertation aims to provide insights into this goal by developing novel methods and applications of first-principle electronic structure theory. Specifically, we will present new methods and applications of excited state multi-electron dynamics based on the real-time (RT) time-dependent Hartree-Fock (TDHF) and time-dependent density functional theory (TDDFT) formalism, and new development of the multi-configuration self-consist field theory (MCSCF) for modeling ground-state electronic structure. The RT-TDHF/TDDFT based developments and applications can be categorized into three broad and coherently integrated research areas: (1) modeling of the interaction between moleculars and external electromagnetic perturbations. In this part we will first prove both analytically and numerically the gauge invariance of the TDHF/TDDFT formalisms, then we will present a novel, efficient method for calculating molecular nonlinear optical properties, and last we will study quantum coherent plasmon in metal namowires using RT-TDDFT; (2) modeling of excited-state charge transfer in molecules. In this part, we will investigate the mechanisms of bridge-mediated electron transfer, and then we will introduce a newly developed non-equilibrium quantum/continuum embedding method for studying charge transfer dynamics in solution; (3) developments of first-principles spin-dependent many-electron dynamics. In this part, we will present an ab initio non-relativistic spin dynamics method based on the two-component generalized Hartree-Fock approach, and then we will generalized it to the two-component TDDFT framework and combine it with the Ehrenfest molecular dynamics approach for modeling the interaction between electron spins and nuclear motion. All these developments and applications will open up new computational and theoretical tools to be applied to the development and understanding of chemical reactions, nonlinear optics, electromagnetism, and spintronics. Lastly, we present a new algorithm for large-scale MCSCF calculations that can utilize massively parallel machines while still maintaining optimal performance for each single processor. This will great improve the efficiency in the MCSCF calculations for studying chemical dissociation and high-accuracy quantum-mechanical simulations.

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.

PubMed

Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi

2016-08-05

The linear-scaling divide-and-conquer (DC) quantum chemical methodology is applied to the density-functional tight-binding (DFTB) theory to develop a massively parallel program that achieves on-the-fly molecular reaction dynamics simulations of huge systems from scratch. The functions to perform large scale geometry optimization and molecular dynamics with DC-DFTB potential energy surface are implemented to the program called DC-DFTB-K. A novel interpolation-based algorithm is developed for parallelizing the determination of the Fermi level in the DC method. The performance of the DC-DFTB-K program is assessed using a laboratory computer and the K computer. Numerical tests show the high efficiency of the DC-DFTB-K program, a single-point energy gradient calculation of a one-million-atom system is completed within 60 s using 7290 nodes of the K computer. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Correlated terahertz acoustic and electromagnetic emission in dynamically screened InGaN/GaN quantum wells

NASA Astrophysics Data System (ADS)

van Capel, P. J. S.; Turchinovich, D.; Porte, H. P.; Lahmann, S.; Rossow, U.; Hangleiter, A.; Dijkhuis, J. I.

2011-08-01

We investigate acoustic and electromagnetic emission from optically excited strained piezoelectric In0.2Ga0.8N/GaN multiple quantum wells (MQWs), using optical pump-probe spectroscopy, time-resolved Brillouin scattering, and THz emission spectroscopy. A direct comparison of detected acoustic signals and THz electromagnetic radiation signals demonstrates that transient strain generation in InGaN/GaN MQWs is correlated with electromagnetic THz generation, and both types of emission find their origin in ultrafast dynamical screening of the built-in piezoelectric field in the MQWs. The measured spectral intensity of the detected Brillouin signal corresponds to a maximum strain amplitude of generated acoustic pulses of 2%. This value coincides with the static lattice-mismatch-induced strain in In0.2Ga0.8N/GaN, demonstrating the total release of static strain in MQWs via impulsive THz acoustic emission. This confirms the ultrafast dynamical screening mechanism in MQWs as a highly efficient method for impulsive strain generation.

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications.

PubMed

Cao, Lushuai; Krönke, Sven; Vendrell, Oriol; Schmelcher, Peter

2013-10-07

We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.

Programmed coherent coupling in a synthetic DNA-based excitonic circuit

NASA Astrophysics Data System (ADS)

Boulais, Étienne; Sawaya, Nicolas P. D.; Veneziano, Rémi; Andreoni, Alessio; Banal, James L.; Kondo, Toru; Mandal, Sarthak; Lin, Su; Schlau-Cohen, Gabriela S.; Woodbury, Neal W.; Yan, Hao; Aspuru-Guzik, Alán; Bathe, Mark

2018-02-01

Natural light-harvesting systems spatially organize densely packed chromophore aggregates using rigid protein scaffolds to achieve highly efficient, directed energy transfer. Here, we report a synthetic strategy using rigid DNA scaffolds to similarly program the spatial organization of densely packed, discrete clusters of cyanine dye aggregates with tunable absorption spectra and strongly coupled exciton dynamics present in natural light-harvesting systems. We first characterize the range of dye-aggregate sizes that can be templated spatially by A-tracts of B-form DNA while retaining coherent energy transfer. We then use structure-based modelling and quantum dynamics to guide the rational design of higher-order synthetic circuits consisting of multiple discrete dye aggregates within a DX-tile. These programmed circuits exhibit excitonic transport properties with prominent circular dichroism, superradiance, and fast delocalized exciton transfer, consistent with our quantum dynamics predictions. This bottom-up strategy offers a versatile approach to the rational design of strongly coupled excitonic circuits using spatially organized dye aggregates for use in coherent nanoscale energy transport, artificial light-harvesting, and nanophotonics.

Velocity map imaging using an in-vacuum pixel detector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gademann, Georg; Huismans, Ymkje; Gijsbertsen, Arjan

The use of a new type in-vacuum pixel detector in velocity map imaging (VMI) is introduced. The Medipix2 and Timepix semiconductor pixel detectors (256x256 square pixels, 55x55 {mu}m{sup 2}) are well suited for charged particle detection. They offer high resolution, low noise, and high quantum efficiency. The Medipix2 chip allows double energy discrimination by offering a low and a high energy threshold. The Timepix detector allows to record the incidence time of a particle with a temporal resolution of 10 ns and a dynamic range of 160 {mu}s. Results of the first time application of the Medipix2 detector to VMImore » are presented, investigating the quantum efficiency as well as the possibility to operate at increased background pressure in the vacuum chamber.« less

Quantum control and quantum tomography on neutral atom qudits

NASA Astrophysics Data System (ADS)

Sosa Martinez, Hector

Neutral atom systems are an appealing platform for the development and testing of quantum control and measurement techniques. This dissertation presents experimental investigations of control and measurement tools using as a testbed the 16-dimensional hyperfine manifold associated with the electronic ground state of cesium atoms. On the control side, we present an experimental realization of a protocol to implement robust unitary transformations in the presence of static and dynamic perturbations. We also present an experimental realization of inhomogeneous quantum control. Specifically, we demonstrate our ability to perform two different unitary transformations on atoms that see different light shifts from an optical addressing field. On the measurement side, we present experimental realizations of quantum state and process tomography. The state tomography project encompasses a comprehensive evaluation of several measurement strategies and state estimation algorithms. Our experimental results show that in the presence of experimental imperfections, there is a clear tradeoff between accuracy, efficiency and robustness in the reconstruction. The process tomography project involves an experimental demonstration of efficient reconstruction by using a set of intelligent probe states. Experimental results show that we are able to reconstruct unitary maps in Hilbert spaces with dimension ranging from d=4 to d=16. To the best of our knowledge, this is the first time that a unitary process in d=16 is successfully reconstructed in the laboratory.

Digital-analog quantum simulation of generalized Dicke models with superconducting circuits

NASA Astrophysics Data System (ADS)

Lamata, Lucas

We propose a digital-analog quantum simulation of generalized Dicke models with superconducting circuits, including Fermi-Bose condensates, biased and pulsed Dicke models, for all regimes of light-matter coupling. We encode these classes of problems in a set of superconducting qubits coupled with a bosonic mode implemented by a transmission line resonator. Via digital-analog techniques, an efficient quantum simulation can be performed in state-of-the-art circuit quantum electrodynamics platforms, by suitable decomposition into analog qubit-bosonic blocks and collective single-qubit pulses through digital steps. Moreover, just a single global analog block would be needed during the whole protocol in most of the cases, superimposed with fast periodic pulses to rotate and detune the qubits. Therefore, a large number of digital steps may be attained with this approach, providing a reduced digital error. Additionally, the number of gates per digital step does not grow with the number of qubits, rendering the simulation efficient. This strategy paves the way for the scalable digital-analog quantum simulation of many-body dynamics involving bosonic modes and spin degrees of freedom with superconducting circuits. The author wishes to acknowledge discussions with I. Arrazola, A. Mezzacapo, J. S. Pedernales, and E. Solano, and support from Ramon y Cajal Grant RYC-2012-11391, Spanish MINECO/FEDER FIS2015-69983-P, UPV/EHU UFI 11/55 and Project EHUA14/04.

Dynamical quantum phase transitions in discrete time crystals

NASA Astrophysics Data System (ADS)

Kosior, Arkadiusz; Sacha, Krzysztof

2018-05-01

Discrete time crystals are related to nonequilibrium dynamics of periodically driven quantum many-body systems where the discrete time-translation symmetry of the Hamiltonian is spontaneously broken into another discrete symmetry. Recently, the concept of phase transitions has been extended to nonequilibrium dynamics of time-independent systems induced by a quantum quench, i.e., a sudden change of some parameter of the Hamiltonian. There, the return probability of a system to the ground state reveals singularities in time which are dubbed dynamical quantum phase transitions. We show that the quantum quench in a discrete time crystal leads to dynamical quantum phase transitions where the return probability of a periodically driven system to a Floquet eigenstate before the quench reveals singularities in time. It indicates that dynamical quantum phase transitions are not restricted to time-independent systems and can be also observed in systems that are periodically driven. We discuss how the phenomenon can be observed in ultracold atomic gases.

Unity-Efficiency Parametric Down-Conversion via Amplitude Amplification.

PubMed

Niu, Murphy Yuezhen; Sanders, Barry C; Wong, Franco N C; Shapiro, Jeffrey H

2017-03-24

We propose an optical scheme, employing optical parametric down-converters interlaced with nonlinear sign gates (NSGs), that completely converts an n-photon Fock-state pump to n signal-idler photon pairs when the down-converters' crystal lengths are chosen appropriately. The proof of this assertion relies on amplitude amplification, analogous to that employed in Grover search, applied to the full quantum dynamics of single-mode parametric down-conversion. When we require that all Grover iterations use the same crystal, and account for potential experimental limitations on crystal-length precision, our optimized conversion efficiencies reach unity for 1≤n≤5, after which they decrease monotonically for n values up to 50, which is the upper limit of our numerical dynamics evaluations. Nevertheless, our conversion efficiencies remain higher than those for a conventional (no NSGs) down-converter.

High-efficiency optical pumping of nuclear polarization in a GaAs quantum well

NASA Astrophysics Data System (ADS)

Mocek, R. W.; Korenev, V. L.; Bayer, M.; Kotur, M.; Dzhioev, R. I.; Tolmachev, D. O.; Cascio, G.; Kavokin, K. V.; Suter, D.

2017-11-01

The dynamic polarization of nuclear spins by photoexcited electrons is studied in a high quality GaAs/AlGaAs quantum well. We find a surprisingly high efficiency of the spin transfer from the electrons to the nuclei as reflected by a maximum nuclear field of 0.9 T in a tilted external magnetic field of 1 T strength only. This high efficiency is due to a low leakage of spin out of the polarized nuclear system, because mechanisms of spin relaxation other than the hyperfine interaction are strongly suppressed, leading to a long nuclear relaxation time of up to 1000 s. A key ingredient to that end is the low impurity concentration inside the heterostructure, while the electrostatic potential from charged impurities in the surrounding barriers becomes screened through illumination by which the spin relaxation time is increased compared to keeping the system in the dark. This finding indicates a strategy for obtaining high nuclear spin polarization as required for long-lasting carrier spin coherence.

Higher-order spin and charge dynamics in a quantum dot-lead hybrid system.

PubMed

Otsuka, Tomohiro; Nakajima, Takashi; Delbecq, Matthieu R; Amaha, Shinichi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Stano, Peter; Noiri, Akito; Ito, Takumi; Loss, Daniel; Ludwig, Arne; Wieck, Andreas D; Tarucha, Seigo

2017-09-22

Understanding the dynamics of open quantum systems is important and challenging in basic physics and applications for quantum devices and quantum computing. Semiconductor quantum dots offer a good platform to explore the physics of open quantum systems because we can tune parameters including the coupling to the environment or leads. Here, we apply the fast single-shot measurement techniques from spin qubit experiments to explore the spin and charge dynamics due to tunnel coupling to a lead in a quantum dot-lead hybrid system. We experimentally observe both spin and charge time evolution via first- and second-order tunneling processes, and reveal the dynamics of the spin-flip through the intermediate state. These results enable and stimulate the exploration of spin dynamics in dot-lead hybrid systems, and may offer useful resources for spin manipulation and simulation of open quantum systems.

Sampling enhancement for the quantum mechanical potential based molecular dynamics simulations: a general algorithm and its extension for free energy calculation on rugged energy surface.

PubMed

Li, Hongzhi; Yang, Wei

2007-03-21

An approach is developed in the replica exchange framework to enhance conformational sampling for the quantum mechanical (QM) potential based molecular dynamics simulations. Importantly, with our enhanced sampling treatment, a decent convergence for electronic structure self-consistent-field calculation is robustly guaranteed, which is made possible in our replica exchange design by avoiding direct structure exchanges between the QM-related replicas and the activated (scaled by low scaling parameters or treated with high "effective temperatures") molecular mechanical (MM) replicas. Although the present approach represents one of the early efforts in the enhanced sampling developments specifically for quantum mechanical potentials, the QM-based simulations treated with the present technique can possess the similar sampling efficiency to the MM based simulations treated with the Hamiltonian replica exchange method (HREM). In the present paper, by combining this sampling method with one of our recent developments (the dual-topology alchemical HREM approach), we also introduce a method for the sampling enhanced QM-based free energy calculations.

Characterization of Dynamical Phase Transitions in Quantum Jump Trajectories Beyond the Properties of the Stationary State

NASA Astrophysics Data System (ADS)

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P.

2013-04-01

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

Characterization of dynamical phase transitions in quantum jump trajectories beyond the properties of the stationary state.

PubMed

Lesanovsky, Igor; van Horssen, Merlijn; Guţă, Mădălin; Garrahan, Juan P

2013-04-12

We describe how to characterize dynamical phase transitions in open quantum systems from a purely dynamical perspective, namely, through the statistical behavior of quantum jump trajectories. This approach goes beyond considering only properties of the steady state. While in small quantum systems dynamical transitions can only occur trivially at limiting values of the controlling parameters, in many-body systems they arise as collective phenomena and within this perspective they are reminiscent of thermodynamic phase transitions. We illustrate this in open models of increasing complexity: a three-level system, the micromaser, and a dissipative version of the quantum Ising model. In these examples dynamical transitions are accompanied by clear changes in static behavior. This is however not always the case, and, in general, dynamical phases need to be uncovered by observables which are strictly dynamical, e.g., dynamical counting fields. We demonstrate this via the example of a class of models of dissipative quantum glasses, whose dynamics can vary widely despite having identical (and trivial) stationary states.

A quantum-classical theory with nonlinear and stochastic dynamics

NASA Astrophysics Data System (ADS)

Burić, N.; Popović, D. B.; Radonjić, M.; Prvanović, S.

2014-12-01

The method of constrained dynamical systems on the quantum-classical phase space is utilized to develop a theory of quantum-classical hybrid systems. Effects of the classical degrees of freedom on the quantum part are modeled using an appropriate constraint, and the interaction also includes the effects of neglected degrees of freedom. Dynamical law of the theory is given in terms of nonlinear stochastic differential equations with Hamiltonian and gradient terms. The theory provides a successful dynamical description of the collapse during quantum measurement.

Experimental quantum simulations of many-body physics with trapped ions.

PubMed

Schneider, Ch; Porras, Diego; Schaetz, Tobias

2012-02-01

Direct experimental access to some of the most intriguing quantum phenomena is not granted due to the lack of precise control of the relevant parameters in their naturally intricate environment. Their simulation on conventional computers is impossible, since quantum behaviour arising with superposition states or entanglement is not efficiently translatable into the classical language. However, one could gain deeper insight into complex quantum dynamics by experimentally simulating the quantum behaviour of interest in another quantum system, where the relevant parameters and interactions can be controlled and robust effects detected sufficiently well. Systems of trapped ions provide unique control of both the internal (electronic) and external (motional) degrees of freedom. The mutual Coulomb interaction between the ions allows for large interaction strengths at comparatively large mutual ion distances enabling individual control and readout. Systems of trapped ions therefore exhibit a prominent system in several physical disciplines, for example, quantum information processing or metrology. Here, we will give an overview of different trapping techniques of ions as well as implementations for coherent manipulation of their quantum states and discuss the related theoretical basics. We then report on the experimental and theoretical progress in simulating quantum many-body physics with trapped ions and present current approaches for scaling up to more ions and more-dimensional systems.

Dynamics of Topological Excitations in a Model Quantum Spin Ice

NASA Astrophysics Data System (ADS)

Huang, Chun-Jiong; Deng, Youjin; Wan, Yuan; Meng, Zi Yang

2018-04-01

We study the quantum spin dynamics of a frustrated X X Z model on a pyrochlore lattice by using large-scale quantum Monte Carlo simulation and stochastic analytic continuation. In the low-temperature quantum spin ice regime, we observe signatures of coherent photon and spinon excitations in the dynamic spin structure factor. As the temperature rises to the classical spin ice regime, the photon disappears from the dynamic spin structure factor, whereas the dynamics of the spinon remain coherent in a broad temperature window. Our results provide experimentally relevant, quantitative information for the ongoing pursuit of quantum spin ice materials.

Hardware for dynamic quantum computing experiments: Part I

NASA Astrophysics Data System (ADS)

Johnson, Blake; Ryan, Colm; Riste, Diego; Donovan, Brian; Ohki, Thomas

Static, pre-defined control sequences routinely achieve high-fidelity operation on superconducting quantum processors. Efforts toward dynamic experiments depending on real-time information have mostly proceeded through hardware duplication and triggers, requiring a combinatorial explosion in the number of channels. We provide a hardware efficient solution to dynamic control with a complete platform of specialized FPGA-based control and readout electronics; these components enable arbitrary control flow, low-latency feedback and/or feedforward, and scale far beyond single-qubit control and measurement. We will introduce the BBN Arbitrary Pulse Sequencer 2 (APS2) control system and the X6 QDSP readout platform. The BBN APS2 features: a sequencer built around implementing short quantum gates, a sequence cache to allow long sequences with branching structures, subroutines for code re-use, and a trigger distribution module to capture and distribute steering information. The X6 QDSP features a single-stage DSP pipeline that combines demodulation with arbitrary integration kernels, and multiple taps to inspect data flow for debugging and calibration. We will show system performance when putting it all together, including a latency budget for feedforward operations. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), through the Army Research Office Contract No. W911NF-10-1-0324.

Conformational Control of Ultrafast Molecular Rotor Property: Tuning Viscosity Sensing Efficiency by Twist Angle Variation.

PubMed

Ghosh, Rajib; Kushwaha, Archana; Das, Dipanwita

2017-09-21

Fluorescent molecular rotors find widespread application in sensing and imaging of microscopic viscosity in complex chemical and biological media. Development of viscosity-sensitive ultrafast molecular rotor (UMR) relies upon the understanding of the excited-state dynamics and their implications for viscosity-dependent fluorescence signaling. Unraveling the structure-property relationship of UMR behavior is of significance toward development of an ultrasensitive fluorescence microviscosity sensor. Herein we show that the ground-state equilibrium conformation has an important role in the ultrafast twisting dynamics of UMRs and consequent viscosity sensing efficiency. Synthesis, photophysics, and ultrafast spectroscopic experiments in conjunction with quantum chemical calculation of a series of UMRs based on dimethylaniline donor and benzimidazolium acceptor with predefined ground-state torsion angle led us to unravel that the ultrafast torsional dynamics around the bond connecting donor and acceptor groups profoundly influences the molecular rotor efficiency. This is the first experimental demonstration of conformational control of small-molecule-based UMR efficiencies which can have wider implication toward development of fluorescence sensors based on the UMR principle. Conformation-controlled UMR efficiency has been shown to exhibit commensurate fluorescence enhancement upon DNA binding.

High Color-Purity Green, Orange, and Red Light-Emitting Didoes Based on Chemically Functionalized Graphene Quantum Dots

NASA Astrophysics Data System (ADS)

Kwon, Woosung; Kim, Young-Hoon; Kim, Ji-Hee; Lee, Taehyung; Do, Sungan; Park, Yoonsang; Jeong, Mun Seok; Lee, Tae-Woo; Rhee, Shi-Woo

2016-04-01

Chemically derived graphene quantum dots (GQDs) to date have showed very broad emission linewidth due to many kinds of chemical bondings with different energy levels, which significantly degrades the color purity and color tunability. Here, we show that use of aniline derivatives to chemically functionalize GQDs generates new extrinsic energy levels that lead to photoluminescence of very narrow linewidths. We use transient absorption and time-resolved photoluminescence spectroscopies to study the electronic structures and related electronic transitions of our GQDs, which reveals that their underlying carrier dynamics is strongly related to the chemical properties of aniline derivatives. Using these functionalized GQDs as lumophores, we fabricate light-emitting didoes (LEDs) that exhibit green, orange, and red electroluminescence that has high color purity. The maximum current efficiency of 3.47 cd A-1 and external quantum efficiency of 1.28% are recorded with our LEDs; these are the highest values ever reported for LEDs based on carbon-nanoparticle phosphors. This functionalization of GQDs with aniline derivatives represents a new method to fabricate LEDs that produce natural color.

Quantum Error Correction

NASA Astrophysics Data System (ADS)

Lidar, Daniel A.; Brun, Todd A.

2013-09-01

Prologue; Preface; Part I. Background: 1. Introduction to decoherence and noise in open quantum systems Daniel Lidar and Todd Brun; 2. Introduction to quantum error correction Dave Bacon; 3. Introduction to decoherence-free subspaces and noiseless subsystems Daniel Lidar; 4. Introduction to quantum dynamical decoupling Lorenza Viola; 5. Introduction to quantum fault tolerance Panos Aliferis; Part II. Generalized Approaches to Quantum Error Correction: 6. Operator quantum error correction David Kribs and David Poulin; 7. Entanglement-assisted quantum error-correcting codes Todd Brun and Min-Hsiu Hsieh; 8. Continuous-time quantum error correction Ognyan Oreshkov; Part III. Advanced Quantum Codes: 9. Quantum convolutional codes Mark Wilde; 10. Non-additive quantum codes Markus Grassl and Martin Rötteler; 11. Iterative quantum coding systems David Poulin; 12. Algebraic quantum coding theory Andreas Klappenecker; 13. Optimization-based quantum error correction Andrew Fletcher; Part IV. Advanced Dynamical Decoupling: 14. High order dynamical decoupling Zhen-Yu Wang and Ren-Bao Liu; 15. Combinatorial approaches to dynamical decoupling Martin Rötteler and Pawel Wocjan; Part V. Alternative Quantum Computation Approaches: 16. Holonomic quantum computation Paolo Zanardi; 17. Fault tolerance for holonomic quantum computation Ognyan Oreshkov, Todd Brun and Daniel Lidar; 18. Fault tolerant measurement-based quantum computing Debbie Leung; Part VI. Topological Methods: 19. Topological codes Héctor Bombín; 20. Fault tolerant topological cluster state quantum computing Austin Fowler and Kovid Goyal; Part VII. Applications and Implementations: 21. Experimental quantum error correction Dave Bacon; 22. Experimental dynamical decoupling Lorenza Viola; 23. Architectures Jacob Taylor; 24. Error correction in quantum communication Mark Wilde; Part VIII. Critical Evaluation of Fault Tolerance: 25. Hamiltonian methods in QEC and fault tolerance Eduardo Novais, Eduardo Mucciolo and Harold Baranger; 26. Critique of fault-tolerant quantum information processing Robert Alicki; References; Index.

Continuous-time quantum random walks require discrete space

NASA Astrophysics Data System (ADS)

Manouchehri, K.; Wang, J. B.

2007-11-01

Quantum random walks are shown to have non-intuitive dynamics which makes them an attractive area of study for devising quantum algorithms for long-standing open problems as well as those arising in the field of quantum computing. In the case of continuous-time quantum random walks, such peculiar dynamics can arise from simple evolution operators closely resembling the quantum free-wave propagator. We investigate the divergence of quantum walk dynamics from the free-wave evolution and show that, in order for continuous-time quantum walks to display their characteristic propagation, the state space must be discrete. This behavior rules out many continuous quantum systems as possible candidates for implementing continuous-time quantum random walks.

Chaotic Dynamical Ferromagnetic Phase Induced by Nonequilibrium Quantum Fluctuations

NASA Astrophysics Data System (ADS)

Lerose, Alessio; Marino, Jamir; Žunkovič, Bojan; Gambassi, Andrea; Silva, Alessandro

2018-03-01

We investigate the robustness of a dynamical phase transition against quantum fluctuations by studying the impact of a ferromagnetic nearest-neighbor spin interaction in one spatial dimension on the nonequilibrium dynamical phase diagram of the fully connected quantum Ising model. In particular, we focus on the transient dynamics after a quantum quench and study the prethermal state via a combination of analytic time-dependent spin wave theory and numerical methods based on matrix product states. We find that, upon increasing the strength of the quantum fluctuations, the dynamical critical point fans out into a chaotic dynamical phase within which the asymptotic ordering is characterized by strong sensitivity to the parameters and initial conditions. We argue that such a phenomenon is general, as it arises from the impact of quantum fluctuations on the mean-field out of equilibrium dynamics of any system which exhibits a broken discrete symmetry.

Chaotic Dynamical Ferromagnetic Phase Induced by Nonequilibrium Quantum Fluctuations.

PubMed

Lerose, Alessio; Marino, Jamir; Žunkovič, Bojan; Gambassi, Andrea; Silva, Alessandro

2018-03-30

We investigate the robustness of a dynamical phase transition against quantum fluctuations by studying the impact of a ferromagnetic nearest-neighbor spin interaction in one spatial dimension on the nonequilibrium dynamical phase diagram of the fully connected quantum Ising model. In particular, we focus on the transient dynamics after a quantum quench and study the prethermal state via a combination of analytic time-dependent spin wave theory and numerical methods based on matrix product states. We find that, upon increasing the strength of the quantum fluctuations, the dynamical critical point fans out into a chaotic dynamical phase within which the asymptotic ordering is characterized by strong sensitivity to the parameters and initial conditions. We argue that such a phenomenon is general, as it arises from the impact of quantum fluctuations on the mean-field out of equilibrium dynamics of any system which exhibits a broken discrete symmetry.

Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

DOE PAGES

Ceriotti, Michele; Fang, Wei; Kusalik, Peter G.; ...

2016-04-06

Nuclear quantum effects influence the structure and dynamics of hydrogen bonded systems, such as water, which impacts their observed properties with widely varying magnitudes. This review highlights the recent significant developments in the experiment, theory and simulation of nuclear quantum effects in water. Novel experimental techniques, such as deep inelastic neutron scattering, now provide a detailed view of the role of nuclear quantum effects in water’s properties. These have been combined with theoretical developments such as the introduction of the competing quantum effects principle that allows the subtle interplay of water’s quantum effects and their manifestation in experimental observables tomore » be explained. We discuss how this principle has recently been used to explain the apparent dichotomy in water’s isotope effects, which can range from very large to almost nonexistent depending on the property and conditions. We then review the latest major developments in simulation algorithms and theory that have enabled the efficient inclusion of nuclear quantum effects in molecular simulations, permitting their combination with on-the-fly evaluation of the potential energy surface using electronic structure theory. Finally, we identify current challenges and future opportunities in the area.« less

Fundamental Study on Quantum Nanojets

DTIC Science & Technology

2004-08-01

Pergamon Press. Bell , J. S . 1966 On the problem of hidden variables in quantum mechanics. Rev. of Modern Phys., 38, 447. Berndl, K., Daumer, M...fluid dynamics based on two quantum mechanical perspectives; Schrödinger’s wave mechanics and quantum fluid dynamics based on Hamilton-Jacoby...References 8 2). Direct Problems a). Quantum fluid dynamics formalism based on Hamilton-Jacoby equation are adapted for the numerical

Dynamical quantum phase transitions: a review

NASA Astrophysics Data System (ADS)

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Dynamical quantum phase transitions: a review.

PubMed

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Quantum State Diffusion

NASA Astrophysics Data System (ADS)

Percival, Ian

2005-10-01

1. Introduction; 2. Brownian motion and Itô calculus; 3. Open quantum systems; 4. Quantum state diffusion; 5. Localisation; 6. Numerical methods and examples; 7. Quantum foundations; 8. Primary state diffusion; 9. Classical dynamics of quantum localisation; 10. Semiclassical theory and linear dynamics.

Dynamics and mechanism of UV-damaged DNA repair in indole-thymine dimer adduct: molecular origin of low repair quantum efficiency.

PubMed

Guo, Xunmin; Liu, Zheyun; Song, Qinhua; Wang, Lijuan; Zhong, Dongping

2015-02-26

Many biomimetic chemical systems for repair of UV-damaged DNA showed very low repair efficiency, and the molecular origin is still unknown. Here, we report our systematic characterization of the repair dynamics of a model compound of indole-thymine dimer adduct in three solvents with different polarity. By resolving all elementary steps including three electron-transfer processes and two bond-breaking and bond-formation dynamics with femtosecond resolution, we observed the slow electron injection in 580 ps in water, 4 ns in acetonitrile, and 1.38 ns in dioxane, the fast back electron transfer without repair in 120, 150, and 180 ps, and the slow bond splitting in 550 ps, 1.9 ns, and 4.5 ns, respectively. The dimer bond cleavage is clearly accelerated by the solvent polarity. By comparing with the biological repair machine photolyase with a slow back electron transfer (2.4 ns) and a fast bond cleavage (90 ps), the low repair efficiency in the biomimetic system is mainly determined by the fast back electron transfer and slow bond breakage. We also found that the model system exists in a dynamic heterogeneous C-clamped conformation, leading to a stretched dynamic behavior. In water, we even identified another stacked form with ultrafast cyclic electron transfer, significantly reducing the repair efficiency. Thus, the comparison of the repair efficiency in different solvents is complicated and should be cautious, and only the dynamics by resolving all elementary steps can finally determine the total repair efficiency. Finally, we use the Marcus electron-transfer theory to analyze all electron-transfer reactions and rationalize all observed electron-transfer dynamics.

Internal quantum efficiency enhancement of GaInN/GaN quantum-well structures using Ag nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iida, Daisuke; Department of Photonics Engineering, Technical University of Denmark, 2800 Lyngby; Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi Tempaku, 468-8502 Nagoya

2015-09-15

We report internal quantum efficiency enhancement of thin p-GaN green quantum-well structure using self-assembled Ag nanoparticles. Temperature dependent photoluminescence measurements are conducted to determine the internal quantum efficiency. The impact of excitation power density on the enhancement factor is investigated. We obtain an internal quantum efficiency enhancement by a factor of 2.3 at 756 W/cm{sup 2}, and a factor of 8.1 at 1 W/cm{sup 2}. A Purcell enhancement up to a factor of 26 is estimated by fitting the experimental results to a theoretical model for the efficiency enhancement factor.

Atomic quantum corrals for Bose-Einstein condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiong Hongwei; Kavli Institute for Theoretical Physics China, Chinese Academy of Sciences, Beijing 100190; Wu Biao

2010-11-15

We consider the dynamics of Bose-Einstein condensates in a corral-like potential. Compared to the electronic quantum corrals, the atomic quantum corrals have the advantages of allowing direct and convenient observation of the wave dynamics, together with adjustable interaction strength. Our numerical study shows that these advantages not only allow exploration of the rich dynamical structures in the density distribution but also make the corrals useful in many other aspects. In particular, the corrals for atoms can be arranged into a stadium shape for the experimental visualization of quantum chaos, which has been elusive with electronic quantum corrals. The density correlationmore » is used to describe quantitatively the dynamical quantum chaos. Furthermore, we find that the interatomic interaction can greatly enhance the dynamical quantum chaos, for example, inducing a chaotic behavior even in circle-shaped corrals.« less

Shortcuts to adiabatic passage for the generation of a maximal Bell state and W state in an atom–cavity system

NASA Astrophysics Data System (ADS)

Lu, Mei; Chen, Qing-Qin

2018-05-01

We propose an efficient scheme to generate the maximal entangle states in an atom–cavity system between two three-level atoms in cavity quantum electronic dynamics system based on shortcuts to adiabatic passage. In the accelerate scheme, there is no need to design a time-varying coupling coefficient for the cavity. We only need to tactfully design time-dependent lasers to drive the system into the desired entangled states. Controlling the detuning between the cavity mode and lasers, we deduce a determinate analysis formula for this quantum information processing. The lasers do not need to distinguish which atom is to be affected, therefore the implementation of the experiment is simpler. The method is also generalized to generate a W state. Moreover, the accelerated program can be extended to a multi-body system and an analytical solution in a higher-dimensional system can be achieved. The influence of decoherence and variations of the parameters are discussed by numerical simulation. The results show that the maximally entangled states can be quickly prepared in a short time with high fidelity, and which are robust against both parameter fluctuations and dissipation. Our study enriches the physics and applications of multi-particle quantum entanglement preparation via shortcuts to adiabatic passage in quantum electronic dynamics.

Algebraic aspects of the driven dynamics in the density operator and correlation functions calculation for multi-level open quantum systems

NASA Astrophysics Data System (ADS)

Bogolubov, Nikolai N.; Soldatov, Andrey V.

2017-12-01

Exact and approximate master equations were derived by the projection operator method for the reduced statistical operator of a multi-level quantum system with finite number N of quantum eigenstates interacting with arbitrary external classical fields and dissipative environment simultaneously. It was shown that the structure of these equations can be simplified significantly if the free Hamiltonian driven dynamics of an arbitrary quantum multi-level system under the influence of the external driving fields as well as its Markovian and non-Markovian evolution, stipulated by the interaction with the environment, are described in terms of the SU(N) algebra representation. As a consequence, efficient numerical methods can be developed and employed to analyze these master equations for real problems in various fields of theoretical and applied physics. It was also shown that literally the same master equations hold not only for the reduced density operator but also for arbitrary nonequilibrium multi-time correlation functions as well under the only assumption that the system and the environment are uncorrelated at some initial moment of time. A calculational scheme was proposed to account for these lost correlations in a regular perturbative way, thus providing additional computable terms to the correspondent master equations for the correlation functions.

Exponential rise of dynamical complexity in quantum computing through projections.

PubMed

Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya

2014-10-10

The ability of quantum systems to host exponentially complex dynamics has the potential to revolutionize science and technology. Therefore, much effort has been devoted to developing of protocols for computation, communication and metrology, which exploit this scaling, despite formidable technical difficulties. Here we show that the mere frequent observation of a small part of a quantum system can turn its dynamics from a very simple one into an exponentially complex one, capable of universal quantum computation. After discussing examples, we go on to show that this effect is generally to be expected: almost any quantum dynamics becomes universal once 'observed' as outlined above. Conversely, we show that any complex quantum dynamics can be 'purified' into a simpler one in larger dimensions. We conclude by demonstrating that even local noise can lead to an exponentially complex dynamics.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

Precision Quantum Control and Error-Suppressing Quantum Firmware for Robust Quantum Computing

DTIC Science & Technology

2014-09-24

Biercuk, Lorenza Viola. Long-time Low - latency Quantum Memory by Dynamical Decoupling, arXiv:1206.6087v1 (06 2012) L. Viola, G. A. Paz-Silva . A...International Patent Application (PCT/AU2013/000649) D. Hayes, K. Khodjasteh L. Viola, M.J. Biercuk, “Long-time low - latency quantum memory by dynamical...Khodjasteh L. Viola, M.J. Biercuk, University of Sydney A28 Physics Road Sydney NS 2006 Long-time low - latency quantum membory by dynamical decoupling

Explanation of low efficiency droop in semipolar (202¯1¯) InGaN/GaN LEDs through evaluation of carrier recombination coefficients.

PubMed

Monavarian, Morteza; Rashidi, Arman; Aragon, Andrew; Oh, Sang H; Nami, Mohsen; DenBaars, Steve P; Feezell, Daniel

2017-08-07

We report the carrier dynamics and recombination coefficients in single-quantum-well semipolar (202¯1¯) InGaN/GaN light-emitting diodes emitting at 440 nm with 93% peak internal quantum efficiency. The differential carrier lifetime is analyzed for various injection current densities from 5 A/cm 2 to 10 kA/cm 2 , and the corresponding carrier densities are obtained. The coupling of internal quantum efficiency and differential carrier lifetime vs injected carrier density (n) enables the separation of the radiative and nonradiative recombination lifetimes and the extraction of the Shockley-Read-Hall (SRH) nonradiative (A), radiative (B), and Auger (C) recombination coefficients and their n-dependency considering the saturation of the SRH recombination rate and phase-space filling. The results indicate a three to four-fold higher A and a nearly two-fold higher B0 for this semipolar orientation compared to that of c-plane reported using a similar approach [A. David and M. J. Grundmann, Appl. Phys. Lett. 96, 103504 (2010)]. In addition, the carrier density in semipolar (202¯1¯) is found to be lower than the carrier density in c-plane for a given current density, which is important for suppressing efficiency droop. The semipolar LED also shows a two-fold lower C0 compared to c-plane, which is consistent with the lower relative efficiency droop for the semipolar LED (57% vs. 69%). The lower carrier density, higher B 0 coefficient, and lower C 0 (Auger) coefficient are directly responsible for the high efficiency and low efficiency droop reported in semipolar (202¯1¯) LEDs.

Explanation of low efficiency droop in semipolar (202¯1¯) InGaN/GaN LEDs through evaluation of carrier recombination coefficients

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Rashidi, Arman; Aragon, Andrew; Oh, Sang H.; Nami, Mohsen; DenBaars, Steve P.; Feezell, Daniel

2017-08-01

We report the carrier dynamics and recombination coefficients in single-quantum-well semipolar $(20\\bar 2\\bar 1)$ InGaN/GaN light-emitting diodes emitting at 440 nm with 93% peak internal quantum efficiency. The differential carrier lifetime is analyzed for various injection current densities from 5 $A/cm^2$ to 10 $kA/cm^2$, and the corresponding carrier densities are obtained. The coupling of internal quantum efficiency and differential carrier lifetime vs injected carrier density ($n$) enables the separation of the radiative and nonradiative recombination lifetimes and the extraction of the Shockley-Read-Hall (SRH) nonradiative ($A$), radiative ($B$), and Auger ($C$) recombination coefficients and their $n$-dependency considering the saturation of the SRH recombination rate and phase-space filling. The results indicate a three to four-fold higher $A$ and a nearly two-fold higher $B_0$ for this semipolar orientation compared to that of $c$-plane reported using a similar approach [A. David and M. J. Grundmann, Appl. Phys. Lett. 96, 103504 (2010)]. In addition, the carrier density in semipolar $(20\\bar 2\\bar 1)$ is found to be lower than the carrier density in $c$-plane for a given current density, which is important for suppressing efficiency droop. The semipolar LED also shows a two-fold lower $C_0$ compared to $c$-plane, which is consistent with the lower relative efficiency droop for the semipolar LED (57% vs. 69%). The lower carrier density, higher $B_0$ coefficient, and lower $C_0$ (Auger) coefficient are directly responsible for the high efficiency and low efficiency droop reported in semipolar $(20\\bar 2\\bar 1)$ LEDs.

The thermoelectric efficiency of quantum dots in indium arsenide/indium phosphide nanowires

NASA Astrophysics Data System (ADS)

Hoffmann, Eric A.

State of the art semiconductor materials engineering provides the possibility to fabricate devices on the lower end of the mesoscopic scale and confine only a handful of electrons to a region of space. When the thermal energy is reduced below the energetic quantum level spacing, the confined electrons assume energy levels akin to the core-shell structure of natural atoms. Such "artificial atoms", also known as quantum dots, can be loaded with electrons, one-by-one, and subsequently unloaded using source and drain electrical contacts. As such, quantum dots are uniquely tunable platforms for performing quantum transport and quantum control experiments. Voltage-biased electron transport through quantum dots has been studied extensively. Far less attention has been given to thermoelectric effects in quantum dots, that is, electron transport induced by a temperature gradient. This dissertation focuses on the efficiency of direct thermal-to-electric energy conversion in InAs/InP quantum dots embedded in nanowires. The efficiency of thermoelectric heat engines is bounded by the same maximum efficiency as cyclic heat engines; namely, by Carnot efficiency. The efficiency of bulk thermoelectric materials suffers from their inability to transport charge carriers selectively based on energy. Owing to their three-dimensional momentum quantization, quantum dots operate as electron energy filters---a property which can be harnessed to minimize entropy production and therefore maximize efficiency. This research was motivated by the possibility to realize experimentally a thermodynamic heat engine operating with near-Carnot efficiency using the unique behavior of quantum dots. To this end, a microscopic heating scheme for the application of a temperature difference across a quantum dot was developed in conjunction with a novel quantum-dot thermometry technique used for quantifying the magnitude of the applied temperature difference. While pursuing high-efficiency thermoelectric performance, many mesoscopic thermoelectric effects were observed and studied, including Coulomb-blockade thermovoltage oscillations, thermoelectric power generation, and strong nonlinear behavior. In the end, a quantum-dot-based thermoelectric heat engine was achieved and demonstrated an electronic efficiency of up to 95% Carnot efficiency.

Quantum critical dynamics of the boson system in the Ginzburg-Landau model

NASA Astrophysics Data System (ADS)

Vasin, M. G.

2014-12-01

The quantum critical dynamics of the quantum phase transitions is considered. In the framework of the unified theory, based on the Keldysh technique, we consider the crossover from the classical to the quantum description of the boson many-body system dynamics close to the second order quantum phase transition. It is shown that in this case the upper critical space dimension of this model is dc+=2, therefore the quantum critical dynamics approach is useful in case of d<2. In the one-dimension system the phase coherence time does diverge at the quantum critical point, gc, and has the form of τ∝-ln∣g-gc∣/∣g-gc∣, the correlation radius diverges as rc∝∣g-gc∣(ν=0.6).

Hardware-efficient bosonic quantum error-correcting codes based on symmetry operators

NASA Astrophysics Data System (ADS)

Niu, Murphy Yuezhen; Chuang, Isaac L.; Shapiro, Jeffrey H.

2018-03-01

We establish a symmetry-operator framework for designing quantum error-correcting (QEC) codes based on fundamental properties of the underlying system dynamics. Based on this framework, we propose three hardware-efficient bosonic QEC codes that are suitable for χ(2 )-interaction based quantum computation in multimode Fock bases: the χ(2 ) parity-check code, the χ(2 ) embedded error-correcting code, and the χ(2 ) binomial code. All of these QEC codes detect photon-loss or photon-gain errors by means of photon-number parity measurements, and then correct them via χ(2 ) Hamiltonian evolutions and linear-optics transformations. Our symmetry-operator framework provides a systematic procedure for finding QEC codes that are not stabilizer codes, and it enables convenient extension of a given encoding to higher-dimensional qudit bases. The χ(2 ) binomial code is of special interest because, with m ≤N identified from channel monitoring, it can correct m -photon-loss errors, or m -photon-gain errors, or (m -1 )th -order dephasing errors using logical qudits that are encoded in O (N ) photons. In comparison, other bosonic QEC codes require O (N2) photons to correct the same degree of bosonic errors. Such improved photon efficiency underscores the additional error-correction power that can be provided by channel monitoring. We develop quantum Hamming bounds for photon-loss errors in the code subspaces associated with the χ(2 ) parity-check code and the χ(2 ) embedded error-correcting code, and we prove that these codes saturate their respective bounds. Our χ(2 ) QEC codes exhibit hardware efficiency in that they address the principal error mechanisms and exploit the available physical interactions of the underlying hardware, thus reducing the physical resources required for implementing their encoding, decoding, and error-correction operations, and their universal encoded-basis gate sets.

Impact of geometric, thermal and tunneling effects on nano-transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Langhua; Chen, Duan, E-mail: dchen10@uncc.edu; Wei, Guo-Wei

Electronic transistors are fundamental building blocks of large scale integrated circuits in modern advanced electronic equipments, and their sizes have been down-scaled to nanometers. Modeling and simulations in the framework of quantum dynamics have emerged as important tools to study functional characteristics of these nano-devices. This work explores the effects of geometric shapes of semiconductor–insulator interfaces, phonon–electron interactions, and quantum tunneling of three-dimensional (3D) nano-transistors. First, we propose a two-scale energy functional to describe the electron dynamics in a dielectric continuum of device material. Coupled governing equations, i.e., Poisson–Kohn–Sham (PKS) equations, are derived by the variational principle. Additionally, it ismore » found that at a given channel cross section area and gate voltage, the geometry that has the smallest perimeter of the channel cross section offers the largest channel current, which indicates that ultra-thin nanotransistors may not be very efficient in practical applications. Moreover, we introduce a new method to evaluate quantum tunneling effects in nanotransistors without invoking the comparison of classical and quantum predictions. It is found that at a given channel cross section area and gate voltage, the geometry that has the smallest perimeter of the channel cross section has the smallest quantum tunneling ratio, which indicates that geometric defects can lead to higher geometric confinement and larger quantum tunneling effect. Furthermore, although an increase in the phonon–electron interaction strength reduces channel current, it does not have much impact to the quantum tunneling ratio. Finally, advanced numerical techniques, including second order elliptic interface methods, have been applied to ensure computational accuracy and reliability of the present PKS simulation.« less

What is dynamics in quantum gravity?

NASA Astrophysics Data System (ADS)

Małkiewicz, Przemysław

2017-10-01

The appearance of the Hamiltonian constraint in the canonical formalism for general relativity reflects the lack of a fixed external time. The dynamics of general relativistic systems can be expressed with respect to an arbitrarily chosen internal degree of freedom, the so-called internal clock. We investigate the way in which the choice of internal clock determines the quantum dynamics and how much different quantum dynamics induced by different clocks are. We develop our method of comparison by extending the Hamilton-Jacobi theory of contact transformations to include a new type of transformation which transforms both the canonical variables and the internal clock. We employ our method to study the quantum dynamics of the Friedmann-Lemaitre model and obtain semiclassical corrections to the classical dynamics, which depend on the choice of internal clock. For a unique quantisation map we find the abundance of inequivalent semiclassical corrections induced by quantum dynamics taking place in different internal clocks. It follows that the concepts like minimal volume, maximal curvature and the number of quantum bounces, often used to describe quantum effects in cosmological models, depend on the choice of internal clock.

Modulating emission polarization of semiconductor quantum dots through surface plasmon of metal nanorod

NASA Astrophysics Data System (ADS)

Cheng, Mu-Tian; Liu, Shao-Ding; Wang, Qu-Quan

2008-04-01

We theoretically investigated the dynamics of exciton populations [ρyy(t ) and ρxx(t )] on two orthogonal polarization eigenstates (∣x⟩ and ∣y⟩) and the polarization ratio P(t )=[ρyy(t )-ρxx(t )]/[ρyy(t )+ρxx(t )] of an anisotropic InGaAs quantum dot modulated by the surface plasmon of an Au nanorod (NR). In the resonance of longitudinal surface plasmon of AuNR, the polarization ratio P(t ) increases from 0.22 to 0.99 during the excitation due to the efficient enhancement of Rabi frequency of the transition between the ∣y⟩ and vacuum states, and decreases from 0.02 to -0.92 after the excitation pulse due to the enhancement of decay rate of the ∣y⟩ state. This offers an approach to modulate the dynamic polarization ratio of radiative emissions.

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

NASA Astrophysics Data System (ADS)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

Distinct nature of orbital-selective Mott phases dominated by low-energy local spin fluctuations

NASA Astrophysics Data System (ADS)

Song, Ze-Yi; Jiang, Xiu-Cai; Lin, Hai-Qing; Zhang, Yu-Zhong

2017-12-01

Quantum orbital-selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hund's coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin susceptibility is responsible for the appearance of non-Fermi-liquid OSM phase in Ising Hund's coupling case. We argue that this scenario can also be applied to account for emergent quantum non-Fermi liquid in the one-band Hubbard model when short-range antiferromagnetic order is considered.

Entanglement measures in embedding quantum simulators with nuclear spins

NASA Astrophysics Data System (ADS)

Xin, Tao; Pedernales, Julen S.; Solano, Enrique; Long, Gui-Lu

2018-02-01

We implement an embedding quantum simulator (EQS) in nuclear spin systems. The experiment consists of a simulator of up to three qubits, plus a single ancillary qubit, where we are able to efficiently measure the concurrence and the three-tangle of two-qubit and three-qubit systems as they undergo entangling dynamics. The EQS framework allows us to drastically reduce the number of measurements needed for this task, which otherwise would require full-state reconstruction of the qubit system. Our simulator is built of the nuclear spins of four 13C atoms in a molecule of trans-crotonic acid manipulated with NMR techniques.

Broadband continuous-variable entanglement source using a chirped poling nonlinear crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, J. S.; Sun, L.; Yu, X. Q.

2010-01-15

Aperiodically poled nonlinear crystal can be used as a broadband continuous-variable entanglement source and has strong stability under perturbations. We study the conversion dynamics of the sum-frequency generation and the quantum correlation of the two pump fields in a chirped-structure nonlinear crystal using the quantum stochastic method. The results show that there exists a frequency window for the pumps where two optical fields can perform efficient upconversion. The two pump fields are demonstrated to be entangled in the window and the chirped-structure crystal can be used as a continuous-variable entanglement source with a broad response bandwidth.

Efficiency of the energy transfer in the FMO complex using hierarchical equations on Graphics Processing Units

NASA Astrophysics Data System (ADS)

Kramer, Tobias; Kreisbeck, Christoph; Rodriguez, Mirta; Hein, Birgit

2011-03-01

We study the efficiency of the energy transfer in the Fenna-Matthews-Olson complex solving the non-Markovian hierarchical equations (HE) proposed by Ishizaki and Fleming in 2009, which include properly the reorganization process. We compare it to the Markovian approach and find that the Markovian dynamics overestimates the thermalization rate, yielding higher efficiencies than the HE. Using the high-performance of graphics processing units (GPU) we cover a large range of reorganization energies and temperatures and find that initial quantum beatings are important for the energy distribution, but of limited influence to the efficiency. Our efficient GPU implementation of the HE allows us to calculate nonlinear spectra of the FMO complex. References see www.quantumdynamics.de

A Framework for Load Balancing of Tensor Contraction Expressions via Dynamic Task Partitioning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lai, Pai-Wei; Stock, Kevin; Rajbhandari, Samyam

In this paper, we introduce the Dynamic Load-balanced Tensor Contractions (DLTC), a domain-specific library for efficient task parallel execution of tensor contraction expressions, a class of computation encountered in quantum chemistry and physics. Our framework decomposes each contraction into smaller unit of tasks, represented by an abstraction referred to as iterators. We exploit an extra level of parallelism by having tasks across independent contractions executed concurrently through a dynamic load balancing run- time. We demonstrate the improved performance, scalability, and flexibility for the computation of tensor contraction expressions on parallel computers using examples from coupled cluster methods.

Quantum Spin Glasses, Annealing and Computation

NASA Astrophysics Data System (ADS)

Chakrabarti, Bikas K.; Inoue, Jun-ichi; Tamura, Ryo; Tanaka, Shu

2017-05-01

List of tables; List of figures, Preface; 1. Introduction; Part I. Quantum Spin Glass, Annealing and Computation: 2. Classical spin models from ferromagnetic spin systems to spin glasses; 3. Simulated annealing; 4. Quantum spin glass; 5. Quantum dynamics; 6. Quantum annealing; Part II. Additional Notes: 7. Notes on adiabatic quantum computers; 8. Quantum information and quenching dynamics; 9. A brief historical note on the studies of quantum glass, annealing and computation.

The Influences of Quantum Coherence on the Positive Work and the Efficiency of Quantum Heat Engine with Working Substance of Two-Qubit Heisenberg XXX Model

NASA Astrophysics Data System (ADS)

Peng, Hu-Ping; Fang, Mao-Fa; Yu, Min; Zou, Hong-Mei

2018-03-01

We study the influences of quantum coherence on the positive work and the efficiency of quantum heat engine (QHE) based on working substance of two-qubit Heisenberg model under a constant external magnetic field. By using analytical and numerical solution, we give the relation expressions for both the positive work and the efficiency with quantum coherence, and in detail discuss the effects of the quantum coherence on the positive work and the efficiency of QHE in the absence or presence of external magnetic field, respectively.

The Influences of Quantum Coherence on the Positive Work and the Efficiency of Quantum Heat Engine with Working Substance of Two-Qubit Heisenberg XXX Model

NASA Astrophysics Data System (ADS)

Peng, Hu-Ping; Fang, Mao-Fa; Yu, Min; Zou, Hong-Mei

2018-06-01

We study the influences of quantum coherence on the positive work and the efficiency of quantum heat engine (QHE) based on working substance of two-qubit Heisenberg model under a constant external magnetic field. By using analytical and numerical solution, we give the relation expressions for both the positive work and the efficiency with quantum coherence, and in detail discuss the effects of the quantum coherence on the positive work and the efficiency of QHE in the absence or presence of external magnetic field, respectively.

Microscopic Description of Spontaneous Emission in Stark Chirped Rapid Adiabatic Passages

NASA Astrophysics Data System (ADS)

Shi, Xuan; Yuan, Hao; Zhao, Hong-Quan

2018-01-01

A microscopic approach describing the effect of spontaneous emission in the stark-chirped rapid adiabatic passages (SCRAPs) for quantum computation is presented. Apart from the phenomenological model, this microscopic one can investigate the dependence of the population dynamics both on the temperature of the environment and the decay rate γ. With flux-biased Josephson qubits as a specifical example, we study the efficiency of the SCRAP for realizing the basic Pauli-X and iSWAP gates. Our results show clearly that the behavior of the population transfer described by the microscopic model is similar with the phenomenological one at zero temperature. In the limit of very high temperature, the population probabilities of the qubit states exhibit strong stability properties. High efficiency for the quantum gate manipulations in SCRAPs is available against the weak decay rate γ ≪ 1 at low temperature.

Dynamical generation of noiseless quantum subsystems

PubMed

Viola; Knill; Lloyd

2000-10-16

We combine dynamical decoupling and universal control methods for open quantum systems with coding procedures. By exploiting a general algebraic approach, we show how appropriate encodings of quantum states result in obtaining universal control over dynamically generated noise-protected subsystems with limited control resources. In particular, we provide a constructive scheme based on two-body Hamiltonians for performing universal quantum computation over large noiseless spaces which can be engineered in the presence of arbitrary linear quantum noise.

Photochemical Dynamics of Intramolecular Singlet Fission

NASA Astrophysics Data System (ADS)

Lin, Zhou; Iwasaki, Hikari; Van Voorhis, Troy

2017-06-01

Singlet fission (SF) converts a singlet exciton (S_1) into a pair of triplet ones (T_1) via a ``multi-exciton'' (ME) intermediate: S_1 \\longleftrightarrow ^1ME \\longleftrightarrow ^1(T_1T_1) \\longrightarrow 2T_1. In exothermic cases, e.g., crystalline pentacene or its derivatives, the quantum yield of SF can reach 200%. With SF doubling the electric current generated by an incident high-energy photon, the solar conversion efficiency in pentacene-based organic photovoltaics (OPVs) can exceed the Shockley-Queisser limit of 33.7%. The ME state is popularly considered to be a dimeric state with significant charge transfer (CT) character that is strongly coupled to both S_1 and ^1(T_1T_1), while this local model lacks strong support from full quantum dynamics studies. Intramolecular SF (ISF) occurring to covalently-bound dimers in the solution phase is an excellent model for a straightforward dynamics simulation of local excitons. In the present study, we investigate the ISF mechanisms for three covalently-bound dimers of pentacene derivatives, including ortho-, meta-, and para-bis(6,13-bis(triisopropylsilylethynyl)pentacene)benzene, in non-protic solvents. Specifically, we propagate the real-time, non-adiabatic quantum mechanical/molecular mechanical (QM/MM) dynamics on the potential energy surfaces associated with the states of S_1, ^1(T_1T_1) and CT. We explore how the energies of these ISF-relevant states and the non-adiabatic couplings between each other fluctuate with time and the instantaneous molecular configuration (e.g., intermonomer distance and orientation). We also quantitatively compare Condon and non-Condon ISF dynamics with solution-phase spectroscopic data. Our results allow us to understand the roles of CT energy levels in the ISF mechanism and propose a design strategy to maximize ISF efficiency. M. B. Smith and J. Michl, Chem. Rev. 110, 6891 (2010). W. Shockley and H. J. Queisser, J. Appl. Phys. 32, 510 (1961). T. C. Berkelbach, M. S. Hybertsen, and D. R. Reichman, J. Chem. Phys. 141, 074705 (2014). M. G. Mavros, D. Hait, and T. A. Van Voorhis, J. Chem. Phys. 145, 214105 (2016). V. Vaissier, and T. A. Van Voorhis, in preparation.

Evaluation of large format electron bombarded virtual phase CCDs as ultraviolet imaging detectors

NASA Technical Reports Server (NTRS)

Opal, Chet B.; Carruthers, George R.

1989-01-01

In conjunction with an external UV-sensitive cathode, an electron-bombarded CCD may be used as a high quantum efficiency/wide dynamic range photon-counting UV detector. Results are presented for the case of a 1024 x 1024, 18-micron square pixel virtual phase CCD used with an electromagnetically focused f/2 Schmidt camera, which yields excellent simgle-photoevent discrimination and counting efficiency. Attention is given to the vacuum-chamber arrangement used to conduct system tests and the CCD electronics and data-acquisition systems employed.

A compact design for the Josephson mixer: The lumped element circuit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pillet, J.-D.; Collège de France, 11 place Marcelin Berthelot, 75005 Paris; Flurin, E.

2015-06-01

We present a compact and efficient design in terms of gain, bandwidth, and dynamical range for the Josephson mixer, the superconducting circuit performing three-wave mixing at microwave frequencies. In an all lumped-element based circuit with galvanically coupled ports, we demonstrate nondegenerate amplification for microwave signals over a bandwidth up to 50 MHz for a power gain of 20 dB. The quantum efficiency of the mixer is shown to be about 70%, and its saturation power reaches −112 dBm.

Cosmology from group field theory formalism for quantum gravity.

PubMed

Gielen, Steffen; Oriti, Daniele; Sindoni, Lorenzo

2013-07-19

We identify a class of condensate states in the group field theory (GFT) formulation of quantum gravity that can be interpreted as macroscopic homogeneous spatial geometries. We then extract the dynamics of such condensate states directly from the fundamental quantum GFT dynamics, following the procedure used in ordinary quantum fluids. The effective dynamics is a nonlinear and nonlocal extension of quantum cosmology. We also show that any GFT model with a kinetic term of Laplacian type gives rise, in a semiclassical (WKB) approximation and in the isotropic case, to a modified Friedmann equation. This is the first concrete, general procedure for extracting an effective cosmological dynamics directly from a fundamental theory of quantum geometry.

Open-System Quantum Annealing in Mean-Field Models with Exponential Degeneracy

DTIC Science & Technology

2016-08-25

life quantum computers are inevitably affected by intrinsic noise resulting in dissipative nonunitary dynamics realized by these devices. We consider an... quantum computer . DOI: 10.1103/PhysRevX.6.021028 Subject Areas: Condensed Matter Physics, Quantum Physics, Quantum Information I. INTRODUCTION Quantum ... computing hardware is affected by a substantial level of intrinsic noise and therefore naturally realizes dis- sipative quantum dynamics [1,2

Efficient classical simulation of the Deutsch-Jozsa and Simon's algorithms

NASA Astrophysics Data System (ADS)

Johansson, Niklas; Larsson, Jan-Åke

2017-09-01

A long-standing aim of quantum information research is to understand what gives quantum computers their advantage. This requires separating problems that need genuinely quantum resources from those for which classical resources are enough. Two examples of quantum speed-up are the Deutsch-Jozsa and Simon's problem, both efficiently solvable on a quantum Turing machine, and both believed to lack efficient classical solutions. Here we present a framework that can simulate both quantum algorithms efficiently, solving the Deutsch-Jozsa problem with probability 1 using only one oracle query, and Simon's problem using linearly many oracle queries, just as expected of an ideal quantum computer. The presented simulation framework is in turn efficiently simulatable in a classical probabilistic Turing machine. This shows that the Deutsch-Jozsa and Simon's problem do not require any genuinely quantum resources, and that the quantum algorithms show no speed-up when compared with their corresponding classical simulation. Finally, this gives insight into what properties are needed in the two algorithms and calls for further study of oracle separation between quantum and classical computation.

Efficiency and formalism of quantum games

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, C.F.; Johnson, Neil F.

We show that quantum games are more efficient than classical games and provide a saturated upper bound for this efficiency. We also demonstrate that the set of finite classical games is a strict subset of the set of finite quantum games. Our analysis is based on a rigorous formulation of quantum games, from which quantum versions of the minimax theorem and the Nash equilibrium theorem can be deduced.

Microresonators for Nonlinear Quantum Optics

NASA Astrophysics Data System (ADS)

Vernon, Zachary

In this thesis I study in detail the quantum dynamics of several nonlinear optical processes in microresonator systems. A Heisenberg-picture input-output formalism is developed from first principles that includes the effects of scattering losses and independent quality factors and coupling ratios for different resonances. The task of calculating the device output is then reduced to solving a set of driven, damped, ordinary differential equations for the resonator mode operators alone. This theoretical framework is used to study photon pair generation via spontaneous four-wave mixing in the weakly pumped regime, on which the effects of scattering losses are appraised. A more strongly driven regime is studied for continuous wave pumps, demonstrating when self- and cross-phase modulation and multi-photon pair generation become important, and their effects on the spectral and power scaling properties of the system are examined; A detuning strategy is presented that compensates for some of these effects. The results of the weak-pump regime are applied to study microresonator-based heralded single photon sources. The impact of scattering losses is studied, revealing that typical systems suffer from low heralding efficiency due to these losses. A technique to improve heralding efficiency is presented through over-coupling the resonator-channel system, and a resultant trade-off between heralding rate and heralding efficiency is uncovered. Limitations to the spectral purity of the heralded single photon output for conventional microresonator systems are also analysed, and a more sophisticated coupling scheme presented to overcome the upper bound for spectral purity of 93% that exists in typical systems, permitting the generation of single photons with spectral purity arbitrarily close to 100% without spectral filtering or sophisticated phase-matching techniques. The theory of quantum frequency conversion in microresonators using four-wave mixing is then developed in detail, and the spectral conversion probability and conversion efficiency studied. Efficiencies exceeding 90% using less than 100 mW of pump power are predicted to be achievable with current technology. A dressed mode picture is developed to better understand the conversion dynamics. Rabi-like spectral splitting and temporal oscillations of the intraresonator mean photon number are predicted, exhibiting a novel regime of strongly coupled photonic modes.

Radiation from quantum weakly dynamical horizons in loop quantum gravity.

PubMed

Pranzetti, Daniele

2012-07-06

We provide a statistical mechanical analysis of quantum horizons near equilibrium in the grand canonical ensemble. By matching the description of the nonequilibrium phase in terms of weakly dynamical horizons with a local statistical framework, we implement loop quantum gravity dynamics near the boundary. The resulting radiation process provides a quantum gravity description of the horizon evaporation. For large black holes, the spectrum we derive presents a discrete structure which could be potentially observable.

Quantum recurrence and fractional dynamic localization in ac-driven perfect state transfer Hamiltonians

DOE Office of Scientific and Technical Information (OSTI.GOV)

Longhi, Stefano, E-mail: stefano.longhi@fisi.polimi.it

Quantum recurrence and dynamic localization are investigated in a class of ac-driven tight-binding Hamiltonians, the Krawtchouk quantum chain, which in the undriven case provides a paradigmatic Hamiltonian model that realizes perfect quantum state transfer and mirror inversion. The equivalence between the ac-driven single-particle Krawtchouk Hamiltonian H{sup -hat} (t) and the non-interacting ac-driven bosonic junction Hamiltonian enables to determine in a closed form the quasi energy spectrum of H{sup -hat} (t) and the conditions for exact wave packet reconstruction (dynamic localization). In particular, we show that quantum recurrence, which is predicted by the general quantum recurrence theorem, is exact for themore » Krawtchouk quantum chain in a dense range of the driving amplitude. Exact quantum recurrence provides perfect wave packet reconstruction at a frequency which is fractional than the driving frequency, a phenomenon that can be referred to as fractional dynamic localization.« less

High-Efficiency and High-Power Mid-Wave Infrared Cascade Lasers

DTIC Science & Technology

2012-10-01

internal quantum efficiency () and factor (2) is usually called the optical extraction efficiency (). The optical extraction efficiency ... quantum efficiency involves more fundamental parameters corresponding to the microscopic processes of the device operation, nevertheless, it can be...deriving parameters such as the internal quantum efficiency of a QC laser, the entire injector miniband can be treated as a single virtual state

Electrically tunable dynamic nuclear spin polarization in GaAs quantum dots at zero magnetic field

NASA Astrophysics Data System (ADS)

Manca, M.; Wang, G.; Kuroda, T.; Shree, S.; Balocchi, A.; Renucci, P.; Marie, X.; Durnev, M. V.; Glazov, M. M.; Sakoda, K.; Mano, T.; Amand, T.; Urbaszek, B.

2018-04-01

In III-V semiconductor nano-structures, the electron and nuclear spin dynamics are strongly coupled. Both spin systems can be controlled optically. The nuclear spin dynamics are widely studied, but little is known about the initialization mechanisms. Here, we investigate optical pumping of carrier and nuclear spins in charge tunable GaAs dots grown on 111A substrates. We demonstrate dynamic nuclear polarization (DNP) at zero magnetic field in a single quantum dot for the positively charged exciton X+ state transition. We tune the DNP in both amplitude and sign by variation of an applied bias voltage Vg. Variation of ΔVg on the order of 100 mV changes the Overhauser splitting (nuclear spin polarization) from -30 μeV (-22%) to +10 μeV (+7%) although the X+ photoluminescence polarization does not change sign over this voltage range. This indicates that absorption in the structure and energy relaxation towards the X+ ground state might provide favourable scenarios for efficient electron-nuclear spin flip-flops, generating DNP during the first tens of ps of the X+ lifetime which is on the order of hundreds of ps. Voltage control of DNP is further confirmed in Hanle experiments.

Surface-hopping dynamics and decoherence with quantum equilibrium structure.

PubMed

Grunwald, Robbie; Kim, Hyojoon; Kapral, Raymond

2008-04-28

In open quantum systems, decoherence occurs through interaction of a quantum subsystem with its environment. The computation of expectation values requires a knowledge of the quantum dynamics of operators and sampling from initial states of the density matrix describing the subsystem and bath. We consider situations where the quantum evolution can be approximated by quantum-classical Liouville dynamics and examine the circumstances under which the evolution can be reduced to surface-hopping dynamics, where the evolution consists of trajectory segments exclusively evolving on single adiabatic surfaces, with probabilistic hops between these surfaces. The justification for the reduction depends on the validity of a Markovian approximation on a bath averaged memory kernel that accounts for quantum coherence in the system. We show that such a reduction is often possible when initial sampling is from either the quantum or classical bath initial distributions. If the average is taken only over the quantum dispersion that broadens the classical distribution, then such a reduction is not always possible.

Electric-field-induced interferometric resonance of a one-dimensional spin-orbit-coupled electron

PubMed Central

Fan, Jingtao; Chen, Yuansen; Chen, Gang; Xiao, Liantuan; Jia, Suotang; Nori, Franco

2016-01-01

The efficient control of electron spins is of crucial importance for spintronics, quantum metrology, and quantum information processing. We theoretically formulate an electric mechanism to probe the electron spin dynamics, by focusing on a one-dimensional spin-orbit-coupled nanowire quantum dot. Owing to the existence of spin-orbit coupling and a pulsed electric field, different spin-orbit states are shown to interfere with each other, generating intriguing interference-resonant patterns. We also reveal that an in-plane magnetic field does not affect the interval of any neighboring resonant peaks, but contributes a weak shift of each peak, which is sensitive to the direction of the magnetic field. We find that this proposed external-field-controlled scheme should be regarded as a new type of quantum-dot-based interferometry. This interferometry has potential applications in precise measurements of relevant experimental parameters, such as the Rashba and Dresselhaus spin-orbit-coupling strengths, as well as the Landé factor. PMID:27966598

Single atom array to form a Rydberg ring

NASA Astrophysics Data System (ADS)

Zhan, Mingsheng; Xu, Peng; He, Xiaodong; Liu, Min; Wang, Jin

2012-02-01

Single atom arrays are ideal quantum systems for studying few-body quantum simulation and quantum computation [1]. Towards realizing a fully controllable array we did a lot of experimental efforts, which include rotating single atoms in a ring optical lattice generated by a spatial light modulator [2], high efficient loading of two atoms into a microscopic optical trap by dynamically reshaping the trap with a spatial light modulator [3], and trapping a single atom in a blue detuned optical bottle beam trap [4]. Recently, we succeeded in trapping up to 6 atoms in a ring optical lattice with one atom in each site. Further laser cooling the array and manipulation of the inner states will provide chance to form Ryberg rings for quantum simulation. [4pt] [1] M. Saffman et al., Rev. Mod. Phys. 82, 2313 (2010)[0pt] [2] X.D. He et al., Opt. Express 17, 21014 (2009)[0pt] [3] X.D. He et al., Opt. Express 18, 13586 (2010)[0pt] [4] P. Xu et al., Opt. Lett. 35, 2164 (2010)

Autonomous rotor heat engine

NASA Astrophysics Data System (ADS)

Roulet, Alexandre; Nimmrichter, Stefan; Arrazola, Juan Miguel; Seah, Stella; Scarani, Valerio

2017-06-01

The triumph of heat engines is their ability to convert the disordered energy of thermal sources into useful mechanical motion. In recent years, much effort has been devoted to generalizing thermodynamic notions to the quantum regime, partly motivated by the promise of surpassing classical heat engines. Here, we instead adopt a bottom-up approach: we propose a realistic autonomous heat engine that can serve as a test bed for quantum effects in the context of thermodynamics. Our model draws inspiration from actual piston engines and is built from closed-system Hamiltonians and weak bath coupling terms. We analytically derive the performance of the engine in the classical regime via a set of nonlinear Langevin equations. In the quantum case, we perform numerical simulations of the master equation. Finally, we perform a dynamic and thermodynamic analysis of the engine's behavior for several parameter regimes in both the classical and quantum case and find that the latter exhibits a consistently lower efficiency due to additional noise.

Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.

PubMed

Chen, Duan; Chen, Zhan; Wei, Guo-Wei

2012-01-01

Proton transport plays an important role in biological energy transduction and sensory systems. Therefore, it has attracted much attention in biological science and biomedical engineering in the past few decades. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins involving continuum, atomic, and quantum descriptions, assisted with the evolution, formation, and visualization of membrane channel surfaces. We describe proton dynamics quantum mechanically via a new density functional theory based on the Boltzmann statistics, while implicitly model numerous solvent molecules as a dielectric continuum to reduce the number of degrees of freedom. The density of all other ions in the solvent is assumed to obey the Boltzmann distribution in a dynamic manner. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic scale. A variational solute-solvent interface is designed to separate the explicit molecule and implicit solvent regions. We formulate a total free-energy functional to put proton kinetic and potential energies, the free energy of all other ions, and the polar and nonpolar energies of the whole system on an equal footing. The variational principle is employed to derive coupled governing equations for the proton transport system. Generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation, and generalized Kohn-Sham equation are obtained from the present variational framework. The variational solvent-solute interface is generated and visualized to facilitate the multiscale discrete/continuum/quantum descriptions. Theoretical formulations for the proton density and conductance are constructed based on fundamental laws of physics. A number of mathematical algorithms, including the Dirichlet-to-Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov space techniques are utilized to implement the proposed model in a computationally efficient manner. The gramicidin A channel is used to validate the performance of the proposed proton transport model and demonstrate the efficiency of the proposed mathematical algorithms. The proton channel conductances are studied over a number of applied voltages and reference concentrations. A comparison with experimental data verifies the present model predictions and confirms the proposed model. Copyright © 2011 John Wiley & Sons, Ltd.

Quantum regression theorem and non-Markovianity of quantum dynamics

NASA Astrophysics Data System (ADS)

Guarnieri, Giacomo; Smirne, Andrea; Vacchini, Bassano

2014-08-01

We explore the connection between two recently introduced notions of non-Markovian quantum dynamics and the validity of the so-called quantum regression theorem. While non-Markovianity of a quantum dynamics has been defined looking at the behavior in time of the statistical operator, which determines the evolution of mean values, the quantum regression theorem makes statements about the behavior of system correlation functions of order two and higher. The comparison relies on an estimate of the validity of the quantum regression hypothesis, which can be obtained exactly evaluating two-point correlation functions. To this aim we consider a qubit undergoing dephasing due to interaction with a bosonic bath, comparing the exact evaluation of the non-Markovianity measures with the violation of the quantum regression theorem for a class of spectral densities. We further study a photonic dephasing model, recently exploited for the experimental measurement of non-Markovianity. It appears that while a non-Markovian dynamics according to either definition brings with itself violation of the regression hypothesis, even Markovian dynamics can lead to a failure of the regression relation.

Quantum Computing Using Superconducting Qubits

DTIC Science & Technology

2006-04-01

see the right fig.), and (iii) dynamically modifying ( pulsating ) this potential by controlling the motion of the A particles. This allows easy...superconductors with periodic pinning arrays. We show that sample heating by moving vortices produces negative differential resistivity (NDR) of both N- and S...efficient (i.e., using one two-bit operation) QC circuits using modern microfabrication techniques. scheme for this design [1,3] to achieve conditional

Small Scale Burner Review

DTIC Science & Technology

2009-07-01

dopants in the semiconductor components of the devices (5). Venkatasubramanian (46) reviewed some state- of-the-art TE materials such as quantum-dot...conversion efficiency of a GaSb micro TPV system incorporating broadband silicon carbide (SiC) and selective emitted materials ( cobalt [Co]/nickel...carbon CFD computational fluid dynamics Co cobalt CO carbon monoxide CO2 carbon dioxide Cu copper GaSb gallium antimonide InGaAs indium gallium

Dynamics of quantum correlation between separated nitrogen-vacancy centers embedded in plasmonic waveguide

PubMed Central

Yang, Wan-li; An, Jun-Hong; Zhang, Cheng-jie; Chen, Chang-yong; Oh, C. H.

2015-01-01

We investigate the dynamics of quantum correlation between two separated nitrogen vacancy centers (NVCs) placed near a one-dimensional plasmonic waveguide. As a common medium of the radiation field of NVCs propagating, the plasmonic waveguide can dynamically induce quantum correlation between the two NVCs. It is interesting to find that such dynamically induced quantum correlation can be preserved in the long-time steady state by locally applying individual driving on the two NVCs. In particular, we also show that a large degree of quantum correlation can be established by this scheme even when the distance between the NVCs is much larger than their operating wavelength. This feature may open new perspectives for devising active decoherence-immune solid-state optical devices and long-distance NVC-based quantum networks in the context of plasmonic quantum electrodynamics. PMID:26493045

Editorial: Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

Cazalilla, M. A.; Rigol, M.

2010-05-01

The dynamics and thermalization of classical systems have been extensively studied in the past. However, the corresponding quantum phenomena remain, to a large extent, uncharted territory. Recent experiments with ultracold quantum gases have at last allowed exploration of the coherent dynamics of isolated quantum systems, as well as observation of non-equilibrium phenomena that challenge our current understanding of the dynamics of quantum many-body systems. These experiments have also posed many new questions. How can we control the dynamics to engineer new states of matter? Given that quantum dynamics is unitary, under which conditions can we expect observables of the system to reach equilibrium values that can be predicted by conventional statistical mechanics? And, how do the observables dynamically approach their statistical equilibrium values? Could the approach to equilibrium be hampered if the system is trapped in long-lived metastable states characterized, for example, by a certain distribution of topological defects? How does the dynamics depend on the way the system is perturbed, such as changing, as a function of time and at a given rate, a parameter across a quantum critical point? What if, conversely, after relaxing to a steady state, the observables cannot be described by the standard equilibrium ensembles of statistical mechanics? How would they depend on the initial conditions in addition to the other properties of the system, such as the existence of conserved quantities? The search for answers to questions like these is fundamental to a new research field that is only beginning to be explored, and to which researchers with different backgrounds, such as nuclear, atomic, and condensed-matter physics, as well as quantum optics, can make, and are making, important contributions. This body of knowledge has an immediate application to experiments in the field of ultracold atomic gases, but can also fundamentally change the way we approach and understand many-body quantum systems. This focus issue of New Journal Physics brings together both experimentalists and theoreticians working on these problems to provide a comprehensive picture of the state of the field. Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems Contents Spin squeezing of high-spin, spatially extended quantum fields Jay D Sau, Sabrina R Leslie, Marvin L Cohen and Dan M Stamper-Kurn Thermodynamic entropy of a many-body energy eigenstate J M Deutsch Ground states and dynamics of population-imbalanced Fermi condensates in one dimension Masaki Tezuka and Masahito Ueda Relaxation dynamics in the gapped XXZ spin-1/2 chain Jorn Mossel and Jean-Sébastien Caux Canonical thermalization Peter Reimann Minimally entangled typical thermal state algorithms E M Stoudenmire and Steven R White Manipulation of the dynamics of many-body systems via quantum control methods Julie Dinerman and Lea F Santos Multimode analysis of non-classical correlations in double-well Bose-Einstein condensates Andrew J Ferris and Matthew J Davis Thermalization in a quasi-one-dimensional ultracold bosonic gas I E Mazets and J Schmiedmayer Two simple systems with cold atoms: quantum chaos tests and non-equilibrium dynamics Cavan Stone, Yassine Ait El Aoud, Vladimir A Yurovsky and Maxim Olshanii On the speed of fluctuations around thermodynamic equilibrium Noah Linden, Sandu Popescu, Anthony J Short and Andreas Winter A quantum central limit theorem for non-equilibrium systems: exact local relaxation of correlated states M Cramer and J Eisert Quantum quench dynamics of the sine-Gordon model in some solvable limits A Iucci and M A Cazalilla Nonequilibrium quantum dynamics of atomic dark solitons A D Martin and J Ruostekoski Quantum quenches in the anisotropic spin-1⁄2 Heisenberg chain: different approaches to many-body dynamics far from equilibrium Peter Barmettler, Matthias Punk, Vladimir Gritsev, Eugene Demler and Ehud Altman Crossover from adiabatic to sudden interaction quenches in the Hubbard model: prethermalization and non-equilibrium dynamics Michael Moeckel and Stefan Kehrein Quantum quenches in integrable field theories Davide Fioretto and Giuseppe Mussardo Dynamical delocalization of Majorana edge states by sweeping across a quantum critical point A Bermudez, L Amico and M A Martin-Delgado Thermometry with spin-dependent lattices D McKay and B DeMarco Near-adiabatic parameter changes in correlated systems: influence of the ramp protocol on the excitation energy Martin Eckstein and Marcus Kollar Sudden change of the thermal contact between two quantum systems J Restrepo and S Camalet Reflection of a Lieb-Liniger wave packet from the hard-wall potential D Jukić and H Buljan Probing interaction-induced ferromagnetism in optical superlattices J von Stecher, E Demler, M D Lukin and A M Rey Sudden interaction quench in the quantum sine-Gordon model Javier Sabio and Stefan Kehrein Dynamics of an inhomogeneous quantum phase transition Jacek Dziarmaga and Marek M Rams

Temporal switching of homo-FRET pathways in single-chromophore dimer models of π-conjugated polymers.

PubMed

Stangl, Thomas; Bange, Sebastian; Schmitz, Daniela; Würsch, Dominik; Höger, Sigurd; Vogelsang, Jan; Lupton, John M

2013-01-09

A set of π-conjugated oligomer dimers templated in molecular scaffolds is presented as a model system for studying the interactions between chromophores in conjugated polymers (CPs). Single-molecule spectroscopy was used to reveal energy transfer dynamics between two oligomers in either a parallel or oblique-angle geometry. In particular, the conformation of single molecules embedded in a host matrix was investigated via polarized excitation and emission fluorescence microscopy in combination with fluorescence correlation spectroscopy. While the intramolecular interchromophore conformation was found to have no impact on the fluorescence quantum yield, lifetime, or photon statistics (antibunching), the long-term nonequilibrium dynamics of energy transfer within these bichromophoric systems was accessible by studying the linear dichroism in emission at the single-molecule level, which revealed reversible switching of the emission between the two oligomers. In bulk polymer films, interchromophore coupling promotes the migration of excitation energy to quenching sites. Realizing the presence and dynamics of such interactions is crucial for understanding limitations on the quantum efficiency of larger CP materials.

Observation and quantification of the quantum dynamics of a strong-field excited multi-level system.

PubMed

Liu, Zuoye; Wang, Quanjun; Ding, Jingjie; Cavaletto, Stefano M; Pfeifer, Thomas; Hu, Bitao

2017-01-04

The quantum dynamics of a V-type three-level system, whose two resonances are first excited by a weak probe pulse and subsequently modified by another strong one, is studied. The quantum dynamics of the multi-level system is closely related to the absorption spectrum of the transmitted probe pulse and its modification manifests itself as a modulation of the absorption line shape. Applying the dipole-control model, the modulation induced by the second strong pulse to the system's dynamics is quantified by eight intensity-dependent parameters, describing the self and inter-state contributions. The present study opens the route to control the quantum dynamics of multi-level systems and to quantify the quantum-control process.

Higher-order kinetic expansion of quantum dissipative dynamics: mapping quantum networks to kinetic networks.

PubMed

Wu, Jianlan; Cao, Jianshu

2013-07-28

We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics of system population is described by a time-convoluted kinetic equation, where the time-nonlocal rate kernel is systematically expanded of the order of off-diagonal elements of the system Hamiltonian. In the second order, the rate kernel recovers the expression of the noninteracting-blip approximation method. The higher-order corrections in the rate kernel account for the effects of the multi-site quantum coherence and the bath relaxation. In a quantum harmonic bath, the rate kernels of different orders are analytically derived. As demonstrated by four examples, the higher-order QKE can reliably predict quantum dissipative dynamics, comparing well with the hierarchic equation approach. More importantly, the higher-order rate kernels can distinguish and quantify distinct nontrivial quantum coherent effects, such as long-range energy transfer from quantum tunneling and quantum interference arising from the phase accumulation of interactions.

Quantum versus classical hyperfine-induced dynamics in a quantum dota)

NASA Astrophysics Data System (ADS)

Coish, W. A.; Loss, Daniel; Yuzbashyan, E. A.; Altshuler, B. L.

2007-04-01

In this article we analyze spin dynamics for electrons confined to semiconductor quantum dots due to the contact hyperfine interaction. We compare mean-field (classical) evolution of an electron spin in the presence of a nuclear field with the exact quantum evolution for the special case of uniform hyperfine coupling constants. We find that (in this special case) the zero-magnetic-field dynamics due to the mean-field approximation and quantum evolution are similar. However, in a finite magnetic field, the quantum and classical solutions agree only up to a certain time scale t <τc, after which they differ markedly.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics

NASA Astrophysics Data System (ADS)

Wang, Han; Zhang, Linfeng; Han, Jiequn; E, Weinan

2018-07-01

Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in Python/C++ that has been designed to minimize the effort required to build deep learning based representation of potential energy and force field and to perform molecular dynamics. Potential applications of DeePMD-kit span from finite molecules to extended systems and from metallic systems to chemically bonded systems. DeePMD-kit is interfaced with TensorFlow, one of the most popular deep learning frameworks, making the training process highly automatic and efficient. On the other end, DeePMD-kit is interfaced with high-performance classical molecular dynamics and quantum (path-integral) molecular dynamics packages, i.e., LAMMPS and the i-PI, respectively. Thus, upon training, the potential energy and force field models can be used to perform efficient molecular simulations for different purposes. As an example of the many potential applications of the package, we use DeePMD-kit to learn the interatomic potential energy and forces of a water model using data obtained from density functional theory. We demonstrate that the resulted molecular dynamics model reproduces accurately the structural information contained in the original model.

Quantum speed limits in open system dynamics.

PubMed

del Campo, A; Egusquiza, I L; Plenio, M B; Huelga, S F

2013-02-01

Bounds to the speed of evolution of a quantum system are of fundamental interest in quantum metrology, quantum chemical dynamics, and quantum computation. We derive a time-energy uncertainty relation for open quantum systems undergoing a general, completely positive, and trace preserving evolution which provides a bound to the quantum speed limit. When the evolution is of the Lindblad form, the bound is analogous to the Mandelstam-Tamm relation which applies in the unitary case, with the role of the Hamiltonian being played by the adjoint of the generator of the dynamical semigroup. The utility of the new bound is exemplified in different scenarios, ranging from the estimation of the passage time to the determination of precision limits for quantum metrology in the presence of dephasing noise.

Harnessing Disordered-Ensemble Quantum Dynamics for Machine Learning

NASA Astrophysics Data System (ADS)

Fujii, Keisuke; Nakajima, Kohei

2017-08-01

The quantum computer has an amazing potential of fast information processing. However, the realization of a digital quantum computer is still a challenging problem requiring highly accurate controls and key application strategies. Here we propose a platform, quantum reservoir computing, to solve these issues successfully by exploiting the natural quantum dynamics of ensemble systems, which are ubiquitous in laboratories nowadays, for machine learning. This framework enables ensemble quantum systems to universally emulate nonlinear dynamical systems including classical chaos. A number of numerical experiments show that quantum systems consisting of 5-7 qubits possess computational capabilities comparable to conventional recurrent neural networks of 100-500 nodes. This discovery opens up a paradigm for information processing with artificial intelligence powered by quantum physics.

On the minimum quantum requirement of photosynthesis.

PubMed

Zeinalov, Yuzeir

2009-01-01

An analysis of the shape of photosynthetic light curves is presented and the existence of the initial non-linear part is shown as a consequence of the operation of the non-cooperative (Kok's) mechanism of oxygen evolution or the effect of dark respiration. The effect of nonlinearity on the quantum efficiency (yield) and quantum requirement is reconsidered. The essential conclusions are: 1) The non-linearity of the light curves cannot be compensated using suspensions of algae or chloroplasts with high (>1.0) optical density or absorbance. 2) The values of the maxima of the quantum efficiency curves or the values of the minima of the quantum requirement curves cannot be used for estimation of the exact value of the maximum quantum efficiency and the minimum quantum requirement. The estimation of the maximum quantum efficiency or the minimum quantum requirement should be performed only after extrapolation of the linear part at higher light intensities of the quantum requirement curves to "0" light intensity.

Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

John, Christopher; Spura, Thomas; Habershon, Scott; Kühne, Thomas D.

2016-04-01

We present a simple and accurate computational method which facilitates ab initio path-integral molecular dynamics simulations, where the quantum-mechanical nature of the nuclei is explicitly taken into account, at essentially no additional computational cost in comparison to the corresponding calculation using classical nuclei. The predictive power of the proposed quantum ring-polymer contraction method is demonstrated by computing various static and dynamic properties of liquid water at ambient conditions using density functional theory. This development will enable routine inclusion of nuclear quantum effects in ab initio molecular dynamics simulations of condensed-phase systems.

Ligand-dependent exciton dynamics and photovoltaic properties of PbS quantum dot heterojunction solar cells.

PubMed

Chang, Jin; Ogomi, Yuhei; Ding, Chao; Zhang, Yao Hong; Toyoda, Taro; Hayase, Shuzi; Katayama, Kenji; Shen, Qing

2017-03-01

The surface chemistry of colloidal quantum dots (QDs) plays an important role in determining the photoelectric properties of QD films and the corresponding quantum dot heterojunction solar cells (QDHSCs). To investigate the effects of the ligand structure on the photovoltaic performance and exciton dynamics of QDHSCs, PbS QDHSCs were fabricated by the solid state ligand exchange method with mercaptoalkanoic acid as the cross-linking ligand. Temperature-dependent photoluminescence and ultrafast transient absorption spectra show that the electronic coupling and charge transfer rate within QD ensembles were monotonically enhanced as the ligand length decreased. However, in practical QDHSCs, the second shortest ligand 3-mercaptopropionic acid (MPA) showed higher power conversion efficiency than the shortest ligand thioglycolic acid (TGA). This could be attributed to the difference in their surface trap states, supported by thermally stimulated current measurements. Moreover, compared with the non-conjugated ligand MPA, the conjugated ligand 4-mercaptobenzoic acid (MBA) introduces less trap states and has a similar charge transfer rate in QD ensembles, but has poor photovoltaic properties. This unexpected result could be contributed by the QD-ligand orbital mixing, leading to the charge transfer from QDs to ligands instead of charge transfer between adjacent QDs. This work highlights the significant effects of ligand structures on the photovoltaic properties and exciton dynamics of QDHSCs, which would shed light on the further development of QD-based photoelectric devices.

Molecular Dynamics of Hot Dense Plasmas: New Horizons

NASA Astrophysics Data System (ADS)

Graziani, Frank

2011-06-01

We describe the status of a new time-dependent simulation capability for hot dense plasmas. The backbone of this multi-institutional computational and experimental effort--the Cimarron Project--is the massively parallel molecular dynamics (MD) code ``ddcMD''. The project's focus is material conditions such as exist in inertial confinement fusion experiments, and in many stellar interiors: high temperatures, high densities, significant electromagnetic fields, mixtures of high- and low- Z elements, and non-Maxwellian particle distributions. Of particular importance is our ability to incorporate into this classical MD code key atomic, radiative, and nuclear processes, so that their interacting effects under non-ideal plasma conditions can be investigated. This talk summarizes progress in computational methodology, discusses strengths and weaknesses of quantum statistical potentials as effective interactions for MD, explains the model used for quantum events possibly occurring in a collision and highlights some significant results obtained to date. We will also discuss a new idea called kinetic theory MD which now being explored to deal more efficiently with the very disparate dynamical timescales that arise in fusion plasmas. We discuss how this approach can be derived rigorously from the n-body quantum Wigner equation and illustrate the approach with an example. This work is performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Quantum localization for a kicked rotor with accelerator mode islands.

PubMed

Iomin, A; Fishman, S; Zaslavsky, G M

2002-03-01

Dynamical localization of classical superdiffusion for the quantum kicked rotor is studied in the semiclassical limit. Both classical and quantum dynamics of the system become more complicated under the conditions of mixed phase space with accelerator mode islands. Recently, long time quantum flights due to the accelerator mode islands have been found. By exploration of their dynamics, it is shown here that the classical-quantum duality of the flights leads to their localization. The classical mechanism of superdiffusion is due to accelerator mode dynamics, while quantum tunneling suppresses the superdiffusion and leads to localization of the wave function. Coupling of the regular type dynamics inside the accelerator mode island structures to dynamics in the chaotic sea proves increasing the localization length. A numerical procedure and an analytical method are developed to obtain an estimate of the localization length which, as it is shown, has exponentially large scaling with the dimensionless Planck's constant (tilde)h<1 in the semiclassical limit. Conditions for the validity of the developed method are specified.

Wavepacket dynamics and the multi-configurational time-dependent Hartree approach

NASA Astrophysics Data System (ADS)

Manthe, Uwe

2017-06-01

Multi-configurational time-dependent Hartree (MCTDH) based approaches are efficient, accurate, and versatile methods for high-dimensional quantum dynamics simulations. Applications range from detailed investigations of polyatomic reaction processes in the gas phase to high-dimensional simulations studying the dynamics of condensed phase systems described by typical solid state physics model Hamiltonians. The present article presents an overview of the different areas of application and provides a comprehensive review of the underlying theory. The concepts and guiding ideas underlying the MCTDH approach and its multi-mode and multi-layer extensions are discussed in detail. The general structure of the equations of motion is highlighted. The representation of the Hamiltonian and the correlated discrete variable representation (CDVR), which provides an efficient multi-dimensional quadrature in MCTDH calculations, are discussed. Methods which facilitate the calculation of eigenstates, the evaluation of correlation functions, and the efficient representation of thermal ensembles in MCTDH calculations are described. Different schemes for the treatment of indistinguishable particles in MCTDH calculations and recent developments towards a unified multi-layer MCTDH theory for systems including bosons and fermions are discussed.

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

NASA Astrophysics Data System (ADS)

Smith, Brendan; Akimov, Alexey V.

2018-04-01

A simple and robust methodology, dubbed Entangled Trajectories Hamiltonian Dynamics (ETHD), is developed to capture quantum nuclear effects such as tunneling and zero-point energy through the coupling of multiple classical trajectories. The approach reformulates the classically mapped second-order Quantized Hamiltonian Dynamics (QHD-2) in terms of coupled classical trajectories. The method partially enforces the uncertainty principle and facilitates tunneling. The applicability of the method is demonstrated by studying the dynamics in symmetric double well and cubic metastable state potentials. The methodology is validated using exact quantum simulations and is compared to QHD-2. We illustrate its relationship to the rigorous Bohmian quantum potential approach, from which ETHD can be derived. Our simulations show a remarkable agreement of the ETHD calculation with the quantum results, suggesting that ETHD may be a simple and inexpensive way of including quantum nuclear effects in molecular dynamics simulations.

Exciton multiplication from first principles.

PubMed

Jaeger, Heather M; Hyeon-Deuk, Kim; Prezhdo, Oleg V

2013-06-18

Third-generation photovolatics require demanding cost and power conversion efficiency standards, which may be achieved through efficient exciton multiplication. Therefore, generating more than one electron-hole pair from the absorption of a single photon has vast ramifications on solar power conversion technology. Unlike their bulk counterparts, irradiated semiconductor quantum dots exhibit efficient exciton multiplication, due to confinement-enhanced Coulomb interactions and slower nonradiative losses. The exact characterization of the complicated photoexcited processes within quantum-dot photovoltaics is a work in progress. In this Account, we focus on the photophysics of nanocrystals and investigate three constituent processes of exciton multiplication, including photoexcitation, phonon-induced dephasing, and impact ionization. We quantify the role of each process in exciton multiplication through ab initio computation and analysis of many-electron wave functions. The probability of observing a multiple exciton in a photoexcited state is proportional to the magnitude of electron correlation, where correlated electrons can be simultaneously promoted across the band gap. Energies of multiple excitons are determined directly from the excited state wave functions, defining the threshold for multiple exciton generation. This threshold is strongly perturbed in the presence of surface defects, dopants, and ionization. Within a few femtoseconds following photoexcitation, the quantum state loses coherence through interactions with the vibrating atomic lattice. The phase relationship between single excitons and multiple excitons dissipates first, followed by multiple exciton fission. Single excitons are coupled to multiple excitons through Coulomb and electron-phonon interactions, and as a consequence, single excitons convert to multiple excitons and vice versa. Here, exciton multiplication depends on the initial energy and coupling magnitude and competes with electron-phonon energy relaxation. Multiple excitons are generated through impact ionization within picoseconds. The basis of exciton multiplication in quantum dots is the collective result of photoexcitation, dephasing, and nonadiabatic evolution. Each process is characterized by a distinct time-scale, and the overall multiple exciton generation dynamics is complete by about 10 ps. Without relying on semiempirical parameters, we computed quantum mechanical probabilities of multiple excitons for small model systems. Because exciton correlations and coherences are microscopic, quantum properties, results for small model systems can be extrapolated to larger, realistic quantum dots.

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Nyman, Gunnar; Rossky, Peter J

2015-06-28

We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

Quantum rotor in nanostructured superconductors

PubMed Central

Lin, Shi-Hsin; Milošević, M. V.; Covaci, L.; Jankó, B.; Peeters, F. M.

2014-01-01

Despite its apparent simplicity, the idealized model of a particle constrained to move on a circle has intriguing dynamic properties and immediate experimental relevance. While a rotor is rather easy to set up classically, the quantum regime is harder to realize and investigate. Here we demonstrate that the quantum dynamics of quasiparticles in certain classes of nanostructured superconductors can be mapped onto a quantum rotor. Furthermore, we provide a straightforward experimental procedure to convert this nanoscale superconducting rotor into a regular or inverted quantum pendulum with tunable gravitational field, inertia, and drive. We detail how these novel states can be detected via scanning tunneling spectroscopy. The proposed experiments will provide insights into quantum dynamics and quantum chaos. PMID:24686241

Quantum dynamics modeled by interacting trajectories

NASA Astrophysics Data System (ADS)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

Integrability and nonintegrability of quantum systems. II. Dynamics in quantum phase space

NASA Astrophysics Data System (ADS)

Zhang, Wei-Min; Feng, Da Hsuan; Yuan, Jian-Min

1990-12-01

Based on the concepts of integrability and nonintegrability of a quantum system presented in a previous paper [Zhang, Feng, Yuan, and Wang, Phys. Rev. A 40, 438 (1989)], a realization of the dynamics in the quantum phase space is now presented. For a quantum system with dynamical group scrG and in one of its unitary irreducible-representation carrier spaces gerhΛ, the quantum phase space is a 2MΛ-dimensional topological space, where MΛ is the quantum-dynamical degrees of freedom. This quantum phase space is isomorphic to a coset space scrG/scrH via the unitary exponential mapping of the elementary excitation operator subspace of scrg (algebra of scrG), where scrH (⊂scrG) is the maximal stability subgroup of a fixed state in gerhΛ. The phase-space representation of the system is realized on scrG/scrH, and its classical analogy can be obtained naturally. It is also shown that there is consistency between quantum and classical integrability. Finally, a general algorithm for seeking the manifestation of ``quantum chaos'' via the classical analogy is provided. Illustrations of this formulation in several important quantum systems are presented.

Artificial Neuron Based on Integrated Semiconductor Quantum Dot Mode-Locked Lasers

NASA Astrophysics Data System (ADS)

Mesaritakis, Charis; Kapsalis, Alexandros; Bogris, Adonis; Syvridis, Dimitris

2016-12-01

Neuro-inspired implementations have attracted strong interest as a power efficient and robust alternative to the digital model of computation with a broad range of applications. Especially, neuro-mimetic systems able to produce and process spike-encoding schemes can offer merits like high noise-resiliency and increased computational efficiency. Towards this direction, integrated photonics can be an auspicious platform due to its multi-GHz bandwidth, its high wall-plug efficiency and the strong similarity of its dynamics under excitation with biological spiking neurons. Here, we propose an integrated all-optical neuron based on an InAs/InGaAs semiconductor quantum-dot passively mode-locked laser. The multi-band emission capabilities of these lasers allows, through waveband switching, the emulation of the excitation and inhibition modes of operation. Frequency-response effects, similar to biological neural circuits, are observed just as in a typical two-section excitable laser. The demonstrated optical building block can pave the way for high-speed photonic integrated systems able to address tasks ranging from pattern recognition to cognitive spectrum management and multi-sensory data processing.

Artificial Neuron Based on Integrated Semiconductor Quantum Dot Mode-Locked Lasers

PubMed Central

Mesaritakis, Charis; Kapsalis, Alexandros; Bogris, Adonis; Syvridis, Dimitris

2016-01-01

Neuro-inspired implementations have attracted strong interest as a power efficient and robust alternative to the digital model of computation with a broad range of applications. Especially, neuro-mimetic systems able to produce and process spike-encoding schemes can offer merits like high noise-resiliency and increased computational efficiency. Towards this direction, integrated photonics can be an auspicious platform due to its multi-GHz bandwidth, its high wall-plug efficiency and the strong similarity of its dynamics under excitation with biological spiking neurons. Here, we propose an integrated all-optical neuron based on an InAs/InGaAs semiconductor quantum-dot passively mode-locked laser. The multi-band emission capabilities of these lasers allows, through waveband switching, the emulation of the excitation and inhibition modes of operation. Frequency-response effects, similar to biological neural circuits, are observed just as in a typical two-section excitable laser. The demonstrated optical building block can pave the way for high-speed photonic integrated systems able to address tasks ranging from pattern recognition to cognitive spectrum management and multi-sensory data processing. PMID:27991574

Entanglement routers via a wireless quantum network based on arbitrary two qubit systems

NASA Astrophysics Data System (ADS)

Metwally, N.

2014-12-01

A wireless quantum network is generated between multi-hops, where each hop consists of two entangled nodes. These nodes share a finite number of entangled two-qubit systems randomly. Different types of wireless quantum bridges (WQBS) are generated between the non-connected nodes. The efficiency of these WQBS to be used as quantum channels between its terminals to perform quantum teleportation is investigated. We suggest a theoretical wireless quantum communication protocol to teleport unknown quantum signals from one node to another, where the more powerful WQBS are used as quantum channels. It is shown that, by increasing the efficiency of the sources that emit the initial partial entangled states, one can increase the efficiency of the wireless quantum communication protocol.

An efficient quantum circuit analyser on qubits and qudits

NASA Astrophysics Data System (ADS)

Loke, T.; Wang, J. B.

2011-10-01

This paper presents a highly efficient decomposition scheme and its associated Mathematica notebook for the analysis of complicated quantum circuits comprised of single/multiple qubit and qudit quantum gates. In particular, this scheme reduces the evaluation of multiple unitary gate operations with many conditionals to just two matrix additions, regardless of the number of conditionals or gate dimensions. This improves significantly the capability of a quantum circuit analyser implemented in a classical computer. This is also the first efficient quantum circuit analyser to include qudit quantum logic gates.

Efficient quantum walk on a quantum processor

PubMed Central

Qiang, Xiaogang; Loke, Thomas; Montanaro, Ashley; Aungskunsiri, Kanin; Zhou, Xiaoqi; O'Brien, Jeremy L.; Wang, Jingbo B.; Matthews, Jonathan C. F.

2016-01-01

The random walk formalism is used across a wide range of applications, from modelling share prices to predicting population genetics. Likewise, quantum walks have shown much potential as a framework for developing new quantum algorithms. Here we present explicit efficient quantum circuits for implementing continuous-time quantum walks on the circulant class of graphs. These circuits allow us to sample from the output probability distributions of quantum walks on circulant graphs efficiently. We also show that solving the same sampling problem for arbitrary circulant quantum circuits is intractable for a classical computer, assuming conjectures from computational complexity theory. This is a new link between continuous-time quantum walks and computational complexity theory and it indicates a family of tasks that could ultimately demonstrate quantum supremacy over classical computers. As a proof of principle, we experimentally implement the proposed quantum circuit on an example circulant graph using a two-qubit photonics quantum processor. PMID:27146471

Extending Bell's beables to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories

NASA Astrophysics Data System (ADS)

Lorenzen, F.; de Ponte, M. A.; Moussa, M. H. Y.

2009-09-01

In this paper, employing the Itô stochastic Schrödinger equation, we extend Bell’s beable interpretation of quantum mechanics to encompass dissipation, decoherence, and the quantum-to-classical transition through quantum trajectories. For a particular choice of the source of stochasticity, the one leading to a dissipative Lindblad-type correction to the Hamiltonian dynamics, we find that the diffusive terms in Nelsons stochastic trajectories are naturally incorporated into Bohm’s causal dynamics, yielding a unified Bohm-Nelson theory. In particular, by analyzing the interference between quantum trajectories, we clearly identify the decoherence time, as estimated from the quantum formalism. We also observe the quantum-to-classical transition in the convergence of the infinite ensemble of quantum trajectories to their classical counterparts. Finally, we show that our extended beables circumvent the problems in Bohm’s causal dynamics regarding stationary states in quantum mechanics.

Ultrasmooth Quantum Dot Micropatterns by a Facile Controllable Liquid-Transfer Approach: Low-Cost Fabrication of High-Performance QLED.

PubMed

Zhang, Min; Hu, Binbin; Meng, Lili; Bian, Ruixin; Wang, Siyuan; Wang, Yunjun; Liu, Huan; Jiang, Lei

2018-06-26

Fabrication of a high quality quantum dot (QD) film is essentially important for a high-performance QD light emitting diode display (QLED) device. It is normally a high-cost and multiple-step solution-transfer process where large amounts of QDs were needed but with only limited usefulness. Thus, developing a simple, efficient, and low-cost approach to fabricate high-quality micropatterned QD film is urgently needed. Here, we proposed that the Chinese brush enables the controllable transfer of a QD solution directly onto a homogeneous and ultrasmooth micropatterned film in one step. It is proposed that the dynamic balance of QDs was enabled during the entire solution transfer process under the cooperative effect of Marangoni flow aroused by the asymmetric solvent evaporation and the Laplace pressure different by conical fibers. By this approach, QD nanoparticles were homogeneously transferred onto the desired area on the substrate. The as-prepared QLED devices show rather high performances with the current efficiencies of 72.38, 26.03, and 4.26 cd/A and external quantum efficiencies of 17.40, 18.96, and 6.20% for the green, red, and blue QLED devices, respectively. We envision that the result offers a low-cost, facile, and practically applicable solution-processing approach that works even in air for fabricating high-performance QLED devices.

Trapping photons on the line: controllable dynamics of a quantum walk

NASA Astrophysics Data System (ADS)

Xue, Peng; Qin, Hao; Tang, Bao

2014-04-01

Optical interferometers comprising birefringent-crystal beam displacers, wave plates, and phase shifters serve as stable devices for simulating quantum information processes such as heralded coined quantum walks. Quantum walks are important for quantum algorithms, universal quantum computing circuits, quantum transport in complex systems, and demonstrating intriguing nonlinear dynamical quantum phenomena. We introduce fully controllable polarization-independent phase shifters in optical pathes in order to realize site-dependent phase defects. The effectiveness of our interferometer is demonstrated through realizing single-photon quantum-walk dynamics in one dimension. By applying site-dependent phase defects, the translational symmetry of an ideal standard quantum walk is broken resulting in localization effect in a quantum walk architecture. The walk is realized for different site-dependent phase defects and coin settings, indicating the strength of localization signature depends on the level of phase due to site-dependent phase defects and coin settings and opening the way for the implementation of a quantum-walk-based algorithm.

Quantum Monte Carlo for large chemical systems: implementing efficient strategies for petascale platforms and beyond.

PubMed

Scemama, Anthony; Caffarel, Michel; Oseret, Emmanuel; Jalby, William

2013-04-30

Various strategies to implement efficiently quantum Monte Carlo (QMC) simulations for large chemical systems are presented. These include: (i) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel scheme is based on the use of the highly localized character of atomic Gaussian basis functions (not the molecular orbitals as usually done), (ii) the possibility of keeping the memory footprint minimal, (iii) the important enhancement of single-core performance when efficient optimization tools are used, and (iv) the definition of a universal, dynamic, fault-tolerant, and load-balanced framework adapted to all kinds of computational platforms (massively parallel machines, clusters, or distributed grids). These strategies have been implemented in the QMC=Chem code developed at Toulouse and illustrated with numerical applications on small peptides of increasing sizes (158, 434, 1056, and 1731 electrons). Using 10-80 k computing cores of the Curie machine (GENCI-TGCC-CEA, France), QMC=Chem has been shown to be capable of running at the petascale level, thus demonstrating that for this machine a large part of the peak performance can be achieved. Implementation of large-scale QMC simulations for future exascale platforms with a comparable level of efficiency is expected to be feasible. Copyright © 2013 Wiley Periodicals, Inc.

Demonstration of Efficient Nonreciprocity in a Microwave Optomechanical Circuit*

NASA Astrophysics Data System (ADS)

Peterson, G. A.; Lecocq, F.; Cicak, K.; Simmonds, R. W.; Aumentado, J.; Teufel, J. D.

2017-07-01

The ability to engineer nonreciprocal interactions is an essential tool in modern communication technology as well as a powerful resource for building quantum networks. Aside from large reverse isolation, a nonreciprocal device suitable for applications must also have high efficiency (low insertion loss) and low output noise. Recent theoretical and experimental studies have shown that nonreciprocal behavior can be achieved in optomechanical systems, but performance in these last two attributes has been limited. Here, we demonstrate an efficient, frequency-converting microwave isolator based on the optomechanical interactions between electromagnetic fields and a mechanically compliant vacuum-gap capacitor. We achieve simultaneous reverse isolation of more than 20 dB and insertion loss less than 1.5 dB. We characterize the nonreciprocal noise performance of the device, observing that the residual thermal noise from the mechanical environments is routed solely to the input of the isolator. Our measurements show quantitative agreement with a general coupled-mode theory. Unlike conventional isolators and circulators, these compact nonreciprocal devices do not require a static magnetic field, and they allow for dynamic control of the direction of isolation. With these advantages, similar devices could enable programmable, high-efficiency connections between disparate nodes of quantum networks, even efficiently bridging the microwave and optical domains.

Wigner's quantum phase-space current in weakly-anharmonic weakly-excited two-state systems

NASA Astrophysics Data System (ADS)

Kakofengitis, Dimitris; Steuernagel, Ole

2017-09-01

There are no phase-space trajectories for anharmonic quantum systems, but Wigner's phase-space representation of quantum mechanics features Wigner current J . This current reveals fine details of quantum dynamics —finer than is ordinarily thought accessible according to quantum folklore invoking Heisenberg's uncertainty principle. Here, we focus on the simplest, most intuitive, and analytically accessible aspects of J. We investigate features of J for bound states of time-reversible, weakly-anharmonic one-dimensional quantum-mechanical systems which are weakly-excited. We establish that weakly-anharmonic potentials can be grouped into three distinct classes: hard, soft, and odd potentials. We stress connections between each other and the harmonic case. We show that their Wigner current fieldline patterns can be characterised by J's discrete stagnation points, how these arise and how a quantum system's dynamics is constrained by the stagnation points' topological charge conservation. We additionally show that quantum dynamics in phase space, in the case of vanishing Planck constant ℏ or vanishing anharmonicity, does not pointwise converge to classical dynamics.

Quantum Dots for Solar Cell Application

NASA Astrophysics Data System (ADS)

Poudyal, Uma

Solar energy has been anticipated as the most important and reliable source of renewable energy to address the ever-increasing energy demand. To harvest solar energy efficiently, diverse kinds of solar cells have been studied. Among these, quantum dot sensitized solar cells have been an interesting group of solar cells mainly due to tunable, size-dependent electronic and optical properties of quantum dots. Moreover, doping these quantum dots with transition metal elements such as Mn opens avenue for improved performance of solar cells as well as for spin based technologies. In this dissertation, Mn-doped CdSe QDs (Mn-CdSe) have been synthesized by Successive Ionic Layer Adsorption and Reaction (SILAR) method. They are used in solar cells to study the effect of Mn doping in the performance of solar cells. Incident photon to current-conversion efficiency (IPCE) is used to record the effect of Mn-doping. Intensity modulated photovoltage and photocurrent spectroscopy (IMVS/PS) has been used to study the carrier dynamics in these solar cells. Additionally, the magnetic properties of Mn-CdSe QDs is studied and its possible origin is discussed. Moreover, CdS/CdSe QDs have been used to study the effect of liquid, gel and solid electrolyte in the performance and stability of the solar cells. Using IPCE spectra, the time decay measurements are presented and the possible reactions between the QD and the electrolytes are explained.

Thermoelectric properties of an interacting quantum dot based heat engine

NASA Astrophysics Data System (ADS)

Erdman, Paolo Andrea; Mazza, Francesco; Bosisio, Riccardo; Benenti, Giuliano; Fazio, Rosario; Taddei, Fabio

2017-06-01

We study the thermoelectric properties and heat-to-work conversion performance of an interacting, multilevel quantum dot (QD) weakly coupled to electronic reservoirs. We focus on the sequential tunneling regime. The dynamics of the charge in the QD is studied by means of master equations for the probabilities of occupation. From here we compute the charge and heat currents in the linear response regime. Assuming a generic multiterminal setup, and for low temperatures (quantum limit), we obtain analytical expressions for the transport coefficients which account for the interplay between interactions (charging energy) and level quantization. In the case of systems with two and three terminals we derive formulas for the power factor Q and the figure of merit Z T for a QD-based heat engine, identifying optimal working conditions which maximize output power and efficiency of heat-to-work conversion. Beyond the linear response we concentrate on the two-terminal setup. We first study the thermoelectric nonlinear coefficients assessing the consequences of large temperature and voltage biases, focusing on the breakdown of the Onsager reciprocal relation between thermopower and Peltier coefficient. We then investigate the conditions which optimize the performance of a heat engine, finding that in the quantum limit output power and efficiency at maximum power can almost be simultaneously maximized by choosing appropriate values of electrochemical potential and bias voltage. At last we study how energy level degeneracy can increase the output power.

A universal quantum information processor for scalable quantum communication and networks

PubMed Central

Yang, Xihua; Xue, Bolin; Zhang, Junxiang; Zhu, Shiyao

2014-01-01

Entanglement provides an essential resource for quantum computation, quantum communication, and quantum networks. How to conveniently and efficiently realize the generation, distribution, storage, retrieval, and control of multipartite entanglement is the basic requirement for realistic quantum information processing. Here, we present a theoretical proposal to efficiently and conveniently achieve a universal quantum information processor (QIP) via atomic coherence in an atomic ensemble. The atomic coherence, produced through electromagnetically induced transparency (EIT) in the Λ-type configuration, acts as the QIP and has full functions of quantum beam splitter, quantum frequency converter, quantum entangler, and quantum repeater. By employing EIT-based nondegenerate four-wave mixing processes, the generation, exchange, distribution, and manipulation of light-light, atom-light, and atom-atom multipartite entanglement can be efficiently and flexibly achieved in a deterministic way with only coherent light fields. This method greatly facilitates the operations in quantum information processing, and holds promising applications in realistic scalable quantum communication and quantum networks. PMID:25316514

Quantum approach of mesoscopic magnet dynamics with spin transfer torque

NASA Astrophysics Data System (ADS)

Wang, Yong; Sham, L. J.

2013-05-01

We present a theory of magnetization dynamics driven by spin-polarized current in terms of the quantum master equation. In the spin coherent state representation, the master equation becomes a Fokker-Planck equation, which naturally includes the spin transfer and quantum fluctuation. The current electron scattering state is correlated to the magnet quantum states, giving rise to quantum correction to the electron transport properties in the usual semiclassical theory. In the large-spin limit, the magnetization dynamics is shown to obey the Hamilton-Jacobi equation or the Hamiltonian canonical equations.

Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

PubMed Central

Kreula, J. M.; Clark, S. R.; Jaksch, D.

2016-01-01

We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

Towards Quantum Cybernetics:. Optimal Feedback Control in Quantum Bio Informatics

NASA Astrophysics Data System (ADS)

Belavkin, V. P.

2009-02-01

A brief account of the quantum information dynamics and dynamical programming methods for the purpose of optimal control in quantum cybernetics with convex constraints and cońcave cost and bequest functions of the quantum state is given. Consideration is given to both open loop and feedback control schemes corresponding respectively to deterministic and stochastic semi-Markov dynamics of stable or unstable systems. For the quantum feedback control scheme with continuous observations we exploit the separation theorem of filtering and control aspects for quantum stochastic micro-dynamics of the total system. This allows to start with the Belavkin quantum filtering equation and derive the generalized Hamilton-Jacobi-Bellman equation using standard arguments of classical control theory. This is equivalent to a Hamilton-Jacobi equation with an extra linear dissipative term if the control is restricted to only Hamiltonian terms in the filtering equation. A controlled qubit is considered as an example throughout the development of the formalism. Finally, we discuss optimum observation strategies to obtain a pure quantum qubit state from a mixed one.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen-bonded systems is demonstrated here.

Achieving Optimal Self-Adaptivity for Dynamic Tuning of Organic Semiconductors through Resonance Engineering.

PubMed

Tao, Ye; Xu, Lijia; Zhang, Zhen; Chen, Runfeng; Li, Huanhuan; Xu, Hui; Zheng, Chao; Huang, Wei

2016-08-03

Current static-state explorations of organic semiconductors for optimal material properties and device performance are hindered by limited insights into the dynamically changed molecular states and charge transport and energy transfer processes upon device operation. Here, we propose a simple yet successful strategy, resonance variation-based dynamic adaptation (RVDA), to realize optimized self-adaptive properties in donor-resonance-acceptor molecules by engineering the resonance variation for dynamic tuning of organic semiconductors. Organic light-emitting diodes hosted by these RVDA materials exhibit remarkably high performance, with external quantum efficiencies up to 21.7% and favorable device stability. Our approach, which supports simultaneous realization of dynamically adapted and selectively enhanced properties via resonance engineering, illustrates a feasible design map for the preparation of smart organic semiconductors capable of dynamic structure and property modulations, promoting the studies of organic electronics from static to dynamic.

Theoretical and experimental investigation of the nonlinear dynamical trends of passively mode-locked quantum dot lasers

NASA Astrophysics Data System (ADS)

Raghunathan, Ravi

In recent years, passively mode-locked quantum dot lasers have shown great promise as compact, efficient and reliable pulsed sources of light for a range of precision and high performance applications, such as high bit-rate optical communications, diverse waveform generation, metrology, and clock distribution in high-performance computing (HPC) processors. For such applications, stable optical pulses with short picosecond pulse durations and multi-gigahertz repetition rates are required. In addition, a low pulse-to-pulse timing jitter is also necessary to prevent errors arising from the ambiguity between neighboring pulses. In order to optimize pulse quality in terms of optical characteristics such as pulse shape and pulse train behavior, as well as RF characteristics such as phase noise and timing jitter, understanding the nonlinear output dynamics of such devices is of critical importance, not only to get a sense of the regimes of operation where device output might be stable or unstable, but also to gain insight into the parameters that influence the output characteristics the most, and how they can be accessed and exploited to optimize design and performance for next generation applications. In this dissertation, theoretical and experimental studies have been combined to investigate the dynamical trends of two-section passively mode-locked quantum dot lasers. On the theoretical side, a novel numerical modeling scheme is presented as a powerful and versatile framework to study the nonlinear dynamics specific to a device, with device-specific parameters extracted over a range of operating conditions. The practical utility of this scheme is then demonstrated, first, in an analytical capability to interpret and explain dynamical trends observed in experiment, and subsequently, as a predictive tool to guide experiment to operate in a desired dynamical regime. Modeling results are compared to experimental findings where possible. Finally, optical feedback from an external reflector is experimentally studied as an additional control mechanism over the output dynamics of the device, and shown to enable invaluable insight into the behavior of the RF and optical spectra of the output. Together, the theoretical and experimental findings of this dissertation are shown to offer a systematic approach to understand, control and exploit the dynamical trends of passively mode-locked two-section quantum dot lasers.

Quasibound states in a triple Gaussian potential

NASA Astrophysics Data System (ADS)

Reichl, L. E.; Porter, Max D.

2018-04-01

We derive the transmission probabilities and delay times, and identify quasibound state structures in an open quantum system consisting of three Gaussian potential energy peaks, a system whose classical scattering dynamics we show to be chaotic. Such open quantum systems can serve as models for nanoscale quantum devices and their wave dynamics are similar to electromagnetic wave dynamics in optical microcavities. We use a quantum web to determine energy regimes for which the system exhibits the quantum manifestations of chaos, and we show that the classical scattering dynamics contains a significant amount of chaos. We also derive an exact expression for the non-Hermitian Hamiltonian whose eigenvalues give quasibound state energies and lifetimes of the system.

Storage and retrieval of light pulse in coupled quantum wells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Jibing, E-mail: liu0328@foxmail.com; Liu, Na; Shan, Chuanjia

In this paper, we propose an effective scheme to create a frequency entangled states based on bound-to-bound inter-subband transitions in an asymmetric three-coupled quantum well structure. A four-subband cascade configuration quantum well structure is illuminated with a pulsed probe field and two continuous wave control laser fields to generate a mixing field. By properly adjusting the frequency detunings and the intensity of coupling fields, the conversion efficiency can reach 100%. A maximum entangled state can be achieved by selecting a proper length of the sample. We also numerically investigate the propagation dynamics of the probe pulse and mixing pulse, themore » results show that two frequency components are able to exchange energy through a four-wave mixing process. Moreover, by considering special coupling fields, the storage and retrieval of the probe pulse is also numerically simulated.« less

Generation of three-qubit Greenberger-Horne-Zeilinger state of superconducting qubits via transitionless quantum driving

NASA Astrophysics Data System (ADS)

Zhang, Xu; Chen, Ye-Hong; Wu, Qi-Cheng; Shi, Zhi-Cheng; Song, Jie; Xia, Yan

2017-01-01

We present an efficient scheme to quickly generate three-qubit Greenberger-Horne-Zeilinger (GHZ) states by using three superconducting qubits (SQs) separated by two coplanar waveguide resonators (CPWRs) capacitively. The scheme is based on quantum Zeno dynamics and the approach of transitionless quantum driving to construct shortcuts to adiabatic passage. In order to highlight the advantages, we compare the present scheme with the traditional one with adiabatic passage. The comparison result shows the shortcut scheme is closely related to the adiabatic scheme but is better than it. Moreover, we discuss the influence of various decoherences with numerical simulation. The result proves that the present scheme is less sensitive to the energy relaxation, the decay of CPWRs and the deviations of the experimental parameters the same as the adiabatic passage. However, the shortcut scheme is effective and robust against the dephasing of SQs in comparison with the adiabatic scheme.

Q-Learning-Based Adjustable Fixed-Phase Quantum Grover Search Algorithm

NASA Astrophysics Data System (ADS)

Guo, Ying; Shi, Wensha; Wang, Yijun; Hu, Jiankun

2017-02-01

We demonstrate that the rotation phase can be suitably chosen to increase the efficiency of the phase-based quantum search algorithm, leading to a dynamic balance between iterations and success probabilities of the fixed-phase quantum Grover search algorithm with Q-learning for a given number of solutions. In this search algorithm, the proposed Q-learning algorithm, which is a model-free reinforcement learning strategy in essence, is used for performing a matching algorithm based on the fraction of marked items λ and the rotation phase α. After establishing the policy function α = π(λ), we complete the fixed-phase Grover algorithm, where the phase parameter is selected via the learned policy. Simulation results show that the Q-learning-based Grover search algorithm (QLGA) enables fewer iterations and gives birth to higher success probabilities. Compared with the conventional Grover algorithms, it avoids the optimal local situations, thereby enabling success probabilities to approach one.

Non-classicality of the molecular vibrations assisting exciton energy transfer at room temperature

PubMed Central

O’Reilly, Edward J.; Olaya-Castro, Alexandra

2014-01-01

Advancing the debate on quantum effects in light-initiated reactions in biology requires clear identification of non-classical features that these processes can exhibit and utilize. Here we show that in prototype dimers present in a variety of photosynthetic antennae, efficient vibration-assisted energy transfer in the sub-picosecond timescale and at room temperature can manifest and benefit from non-classical fluctuations of collective pigment motions. Non-classicality of initially thermalized vibrations is induced via coherent exciton–vibration interactions and is unambiguously indicated by negativities in the phase–space quasi-probability distribution of the effective collective mode coupled to the electronic dynamics. These quantum effects can be prompted upon incoherent input of excitation. Our results therefore suggest that investigation of the non-classical properties of vibrational motions assisting excitation and charge transport, photoreception and chemical sensing processes could be a touchstone for revealing a role for non-trivial quantum phenomena in biology. PMID:24402469

Path Integral Metadynamics.

PubMed

Quhe, Ruge; Nava, Marco; Tiwary, Pratyush; Parrinello, Michele

2015-04-14

We develop a new efficient approach for the simulation of static properties of quantum systems using path integral molecular dynamics in combination with metadynamics. We use the isomorphism between a quantum system and a classical one in which a quantum particle is mapped into a ring polymer. A history dependent biasing potential is built as a function of the elastic energy of the isomorphic polymer. This enhances fluctuations in the shape and size of the necklace in a controllable manner and allows escaping deep energy minima in a limited computer time. In this way, we are able to sample high free energy regions and cross barriers, which would otherwise be insurmountable with unbiased methods. This substantially improves the ability of finding the global free energy minimum as well as exploring other metastable states. The performance of the new technique is demonstrated by illustrative applications on model potentials of varying complexity.

Quantum memory with a controlled homogeneous splitting

NASA Astrophysics Data System (ADS)

Hétet, G.; Wilkowski, D.; Chanelière, T.

2013-04-01

We propose a quantum memory protocol where an input light field can be stored onto and released from a single ground state atomic ensemble by controlling dynamically the strength of an external static and homogeneous field. The technique relies on the adiabatic following of a polaritonic excitation onto a state for which the forward collective radiative emission is forbidden. The resemblance with the archetypal electromagnetically induced transparency is only formal because no ground state coherence-based slow-light propagation is considered here. As compared to the other grand category of protocols derived from the photon-echo technique, our approach only involves a homogeneous static field. We discuss two physical situations where the effect can be observed, and show that in the limit where the excited state lifetime is longer than the storage time; the protocols are perfectly efficient and noise free. We compare the technique with other quantum memories, and propose atomic systems where the experiment can be realized.

Precise control of coupling strength in photonic molecules over a wide range using nanoelectromechanical systems

PubMed Central

Du, Han; Zhang, Xingwang; Chen, Guoqiang; Deng, Jie; Chau, Fook Siong; Zhou, Guangya

2016-01-01

Photonic molecules have a range of promising applications including quantum information processing, where precise control of coupling strength is critical. Here, by laterally shifting the center-to-center offset of coupled photonic crystal nanobeam cavities, we demonstrate a method to precisely and dynamically control the coupling strength of photonic molecules through integrated nanoelectromechanical systems with a precision of a few GHz over a range of several THz without modifying the nature of their constituent resonators. Furthermore, the coupling strength can be tuned continuously from negative (strong coupling regime) to zero (weak coupling regime) and further to positive (strong coupling regime) and vice versa. Our work opens a door to the optimization of the coupling strength of photonic molecules in situ for the study of cavity quantum electrodynamics and the development of efficient quantum information devices. PMID:27097883

High-order noise filtering in nontrivial quantum logic gates.

PubMed

Green, Todd; Uys, Hermann; Biercuk, Michael J

2012-07-13

Treating the effects of a time-dependent classical dephasing environment during quantum logic operations poses a theoretical challenge, as the application of noncommuting control operations gives rise to both dephasing and depolarization errors that must be accounted for in order to understand total average error rates. We develop a treatment based on effective Hamiltonian theory that allows us to efficiently model the effect of classical noise on nontrivial single-bit quantum logic operations composed of arbitrary control sequences. We present a general method to calculate the ensemble-averaged entanglement fidelity to arbitrary order in terms of noise filter functions, and provide explicit expressions to fourth order in the noise strength. In the weak noise limit we derive explicit filter functions for a broad class of piecewise-constant control sequences, and use them to study the performance of dynamically corrected gates, yielding good agreement with brute-force numerics.

Communication: Calculation of interatomic forces and optimization of molecular geometry with auxiliary-field quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Motta, Mario; Zhang, Shiwei

2018-05-01

We propose an algorithm for accurate, systematic, and scalable computation of interatomic forces within the auxiliary-field quantum Monte Carlo (AFQMC) method. The algorithm relies on the Hellmann-Feynman theorem and incorporates Pulay corrections in the presence of atomic orbital basis sets. We benchmark the method for small molecules by comparing the computed forces with the derivatives of the AFQMC potential energy surface and by direct comparison with other quantum chemistry methods. We then perform geometry optimizations using the steepest descent algorithm in larger molecules. With realistic basis sets, we obtain equilibrium geometries in agreement, within statistical error bars, with experimental values. The increase in computational cost for computing forces in this approach is only a small prefactor over that of calculating the total energy. This paves the way for a general and efficient approach for geometry optimization and molecular dynamics within AFQMC.

Protecting entanglement by adjusting the velocities of moving qubits inside non-Markovian environments

NASA Astrophysics Data System (ADS)

Mortezapour, Ali; Ahmadi Borji, Mahdi; Lo Franco, Rosario

2017-05-01

Efficient entanglement preservation in open quantum systems is a crucial scope towards a reliable exploitation of quantum resources. We address this issue by studying how two-qubit entanglement dynamically behaves when two atom qubits move inside two separated identical cavities. The moving qubits independently interact with their respective cavity. As a main general result, we find that under resonant qubit-cavity interaction the initial entanglement between two moving qubits remains closer to its initial value as time passes compared to the case of stationary qubits. In particular, we show that the initial entanglement can be strongly protected from decay by suitably adjusting the velocities of the qubits according to the non-Markovian features of the cavities. Our results supply a further way of preserving quantum correlations against noise with a natural implementation in cavity-QED scenarios and are straightforwardly extendable to many qubits for scalability.

Ultrafast electronic dynamics in unipolar n-doped indium gallium arsenide/gallium arsenide self-assembled quantum dots

NASA Astrophysics Data System (ADS)

Wu, Zong-Kwei J.

2006-12-01

Photodetectors based on intraband infrared absorption in the quantum dots have demonstrated improved performance over its quantum well counterpart by lower dark current, relative temperature insensitivity, and its ability for normal incidence operation. Various scattering processes, including phonon emission/absorption and carrier-carrier scattering, are critical in understanding device operation on the fundamental level. In previous studies, our group has investigated carrier dynamics in both low- and high-density regime. Ultrafast electron-hole scattering and the predicted phonon bottleneck effect in intrinsic quantum dots have been observed. Further examination on electron dynamics in unipolar structures is presented in this thesis. We used n-doped quantum dot in mid-infrared photodetector device structure to study the electron dynamics in unipolar structure. Differential transmission spectroscopy with mid-infrared intraband pump and optical interband probe was implemented to measure the electron dynamics directly without creating extra electron-hole pair, Electron relaxation after excitation was measured under various density and temperature conditions. Rapid capture into quantum dot within ˜ 10 ps was observed due to Auger-type electron-electron scattering. Intradot relaxation from the quantum dot excited state to the ground state was also observed on the time scale of 100 ps. With highly doped electron density in the structure, the inter-sublevel relaxation is dominated by Auger-type electron-electron scattering and the phonon bottleneck effect is circumvented. Nanosecond-scale recovery in larger-sized quantum dots was observed, not intrinsic to electron dynamics but due to band-bending and built-in voltage drift. An ensemble Monte Carlo simulation was also established to model the dynamics in quantum dots and in goad agreement with the experimental results. We presented a comprehensive picture of electron dynamics in the unipolar quantum dot structure. Although the phonon bottleneck is circumvented with high doped electron density, relaxation processes in unipolar quantum dots have been measured with time scales longer than that of bipolar systems. The results explain the operation principles of the quantum dot infrared photodetector on a microscopic level and provide basic understanding for future applications and designs.

High efficiency coherent optical memory with warm rubidium vapour

PubMed Central

Hosseini, M.; Sparkes, B.M.; Campbell, G.; Lam, P.K.; Buchler, B.C.

2011-01-01

By harnessing aspects of quantum mechanics, communication and information processing could be radically transformed. Promising forms of quantum information technology include optical quantum cryptographic systems and computing using photons for quantum logic operations. As with current information processing systems, some form of memory will be required. Quantum repeaters, which are required for long distance quantum key distribution, require quantum optical memory as do deterministic logic gates for optical quantum computing. Here, we present results from a coherent optical memory based on warm rubidium vapour and show 87% efficient recall of light pulses, the highest efficiency measured to date for any coherent optical memory suitable for quantum information applications. We also show storage and recall of up to 20 pulses from our system. These results show that simple warm atomic vapour systems have clear potential as a platform for quantum memory. PMID:21285952

High efficiency coherent optical memory with warm rubidium vapour.

PubMed

Hosseini, M; Sparkes, B M; Campbell, G; Lam, P K; Buchler, B C

2011-02-01

By harnessing aspects of quantum mechanics, communication and information processing could be radically transformed. Promising forms of quantum information technology include optical quantum cryptographic systems and computing using photons for quantum logic operations. As with current information processing systems, some form of memory will be required. Quantum repeaters, which are required for long distance quantum key distribution, require quantum optical memory as do deterministic logic gates for optical quantum computing. Here, we present results from a coherent optical memory based on warm rubidium vapour and show 87% efficient recall of light pulses, the highest efficiency measured to date for any coherent optical memory suitable for quantum information applications. We also show storage and recall of up to 20 pulses from our system. These results show that simple warm atomic vapour systems have clear potential as a platform for quantum memory.

Tetracarboxy-phthalocyanines: From excited state dynamics to photodynamic inactivation against Bovine herpesvirus type 1.

PubMed

Cocca, Leandro H Z; Oliveira, Taise M A; Gotardo, Fernando; Teles, Amanda V; Menegatti, Ricardo; Siqueira, Jonathas P; Mendonça, Cleber R; Bataus, Luiz A M; Ribeiro, Anderson O; Souza, Thalita F M; Souza, Guilherme R L; Gonçalves, Pablo J; De Boni, Leonardo

2017-10-01

Herein we present the excited state dynamic of zinc and aluminum tetracarboxy-phthalocyanines (ZnPc and AlPc) and its application in the photodynamic inactivation (PDI) of Bovine herpesvirus type 1 (BoHV-1) in vitro. The excited state dynamic provides valuable data to describe the excited state properties of potential optical limiters and/or photosensitizers (PSs), such as: the excited state cross-sections, fluorescence lifetime and triplet state quantum yield. The excited state characterization was performed using three different Z-scan techniques: Single Pulse, White Light Continuum and Pulse Train. Considering the photodynamic inactivation of BoHV-1, an initial viral suspension containing 10 5.75 TCID 50 /mL was incubated with the PSs for 1h at 37°C under agitation and protected from light. The samples were placed in microtiter plates and irradiated (180mW/cm 2 ). During irradiation, a sample was taken every 15min and the viability of the virus was evaluated. The results show that both phthalocyanines were efficient against viruses. However, a higher photodynamic efficiency was observed by ZnPc, which can be attributed to its higher triplet and singlet quantum yields. The results presented here are important for animal health (treatment of BoHV-1) and also open up a field of studies to use AlPc and ZnPc as potential agents against a wide range of microorganisms of veterinary interest. Copyright © 2017 Elsevier B.V. All rights reserved.

Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

NASA Astrophysics Data System (ADS)

Liu, Cheng-Wei

Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the NEQ approach I verify the universality class of the 3D Ising spin-glasses. I also investigate the random 3-regular graphs in terms of both classical and quantum phase transitions. I demonstrate that under this simulation scheme, one can extract information associated with the classical and quantum spin-glass transitions without any knowledge prior to the simulation.

Control of Electronic Structures and Phonon Dynamics in Quantum Dot Superlattices by Manipulation of Interior Nanospace.

PubMed

Chang, I-Ya; Kim, DaeGwi; Hyeon-Deuk, Kim

2016-07-20

Quantum dot (QD) superlattices, periodically ordered array structures of QDs, are expected to provide novel photo-optical functions due to their resonant couplings between adjacent QDs. Here, we computationally demonstrated that electronic structures and phonon dynamics of a QD superlattice can be effectively and selectively controlled by manipulating its interior nanospace, where quantum resonance between neighboring QDs appears, rather than by changing component QD size, shape, compositions, etc. A simple H-passivated Si QD was examined to constitute one-, two-, and three-dimensional QD superlattices, and thermally fluctuating band energies and phonon modes were simulated by finite-temperature ab initio molecular dynamics (MD) simulations. The QD superlattice exhibited a decrease in the band gap energy enhanced by thermal modulations and also exhibited selective extraction of charge carriers out of the component QD, indicating its advantage as a promising platform for implementation in solar cells. Our dynamical phonon analyses based on the ab initio MD simulations revealed that THz-frequency phonon modes were created by an inter-QD crystalline lattice formed in the QD superlattice, which can contribute to low energy thermoelectric conversion and will be useful for direct observation of the dimension-dependent superlattice. Further, we found that crystalline and ligand-originated phonon modes inside each component QD can be independently controlled by asymmetry of the superlattice and by restriction of the interior nanospace, respectively. Taking into account the thermal effects at the finite temperature, we proposed guiding principles for designing efficient and space-saving QD superlattices to develop functional photovoltaic and thermoelectric devices.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

NASA Astrophysics Data System (ADS)

Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

2018-02-01

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics.

PubMed

Kretchmer, Joshua S; Chan, Garnet Kin-Lic

2018-02-07

We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

Speed and efficiency limits of multilevel incoherent heat engines.

PubMed

Mukherjee, V; Niedenzu, W; Kofman, A G; Kurizki, G

2016-12-01

We present a comprehensive theory of heat engines (HE) based on a quantum-mechanical "working fluid" (WF) with periodically modulated energy levels. The theory is valid for any periodicity of driving Hamiltonians that commute with themselves at all times and do not induce coherence in the WF. Continuous and stroke cycles arise in opposite limits of this theory, which encompasses hitherto unfamiliar cycle forms, dubbed here hybrid cycles. The theory allows us to discover the speed, power, and efficiency limits attainable by incoherently operating multilevel HE depending on the cycle form and the dynamical regimes.

Noise-assisted energy transport in electrical oscillator networks with off-diagonal dynamical disorder.

PubMed

León-Montiel, Roberto de J; Quiroz-Juárez, Mario A; Quintero-Torres, Rafael; Domínguez-Juárez, Jorge L; Moya-Cessa, Héctor M; Torres, Juan P; Aragón, José L

2015-11-27

Noise is generally thought as detrimental for energy transport in coupled oscillator networks. However, it has been shown that for certain coherently evolving systems, the presence of noise can enhance, somehow unexpectedly, their transport efficiency; a phenomenon called environment-assisted quantum transport (ENAQT) or dephasing-assisted transport. Here, we report on the experimental observation of such effect in a network of coupled electrical oscillators. We demonstrate that by introducing stochastic fluctuations in one of the couplings of the network, a relative enhancement in the energy transport efficiency of 22.5 ± 3.6% can be observed.

Efficient propagation of the hierarchical equations of motion using the matrix product state method

NASA Astrophysics Data System (ADS)

Shi, Qiang; Xu, Yang; Yan, Yaming; Xu, Meng

2018-05-01

We apply the matrix product state (MPS) method to propagate the hierarchical equations of motion (HEOM). It is shown that the MPS approximation works well in different type of problems, including boson and fermion baths. The MPS method based on the time-dependent variational principle is also found to be applicable to HEOM with over one thousand effective modes. Combining the flexibility of the HEOM in defining the effective modes and the efficiency of the MPS method thus may provide a promising tool in simulating quantum dynamics in condensed phases.

[Definition of quantum efficiency of X-ray detectors].

PubMed

Zelikman, M I

2001-01-01

Different definitions available in the literature on the quantum efficiency of X-ray detectors are presented and compared. The relationship of this parameter to spatial frequencies for quantum accounting receivers and energy accumulating ones is analyzed. A procedure is proposed for evaluating the quantum efficiency of the detectors in the area of zero spatial frequencies, which is rather simple and requires no special testing equipment.

Simulation of quantum dynamics with integrated photonics

NASA Astrophysics Data System (ADS)

Sansoni, Linda; Sciarrino, Fabio; Mataloni, Paolo; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto

2012-12-01

In recent years, quantum walks have been proposed as promising resources for the simulation of physical quantum systems. In fact it is widely adopted to simulate quantum dynamics. Up to now single particle quantum walks have been experimentally demonstrated by different approaches, while only few experiments involving many-particle quantum walks have been realized. Here we simulate the 2-particle dynamics on a discrete time quantum walk, built on an array of integrated waveguide beam splitters. The polarization independence of the quantum walk circuit allowed us to exploit the polarization entanglement to encode the symmetry of the two-photon wavefunction, thus the bunching-antibunching behavior of non interacting bosons and fermions has been simulated. We have also characterized the possible distinguishability and decoherence effects arising in such a structure. This study is necessary in view of the realization of a quantum simulator based on an integrated optical array built on a large number of beam splitters.

Lorentz quantum mechanics

NASA Astrophysics Data System (ADS)

Zhang, Qi; Wu, Biao

2018-01-01

We present a theoretical framework for the dynamics of bosonic Bogoliubov quasiparticles. We call it Lorentz quantum mechanics because the dynamics is a continuous complex Lorentz transformation in complex Minkowski space. In contrast, in usual quantum mechanics, the dynamics is the unitary transformation in Hilbert space. In our Lorentz quantum mechanics, three types of state exist: space-like, light-like and time-like. Fundamental aspects are explored in parallel to the usual quantum mechanics, such as a matrix form of a Lorentz transformation, and the construction of Pauli-like matrices for spinors. We also investigate the adiabatic evolution in these mechanics, as well as the associated Berry curvature and Chern number. Three typical physical systems, where bosonic Bogoliubov quasi-particles and their Lorentz quantum dynamics can arise, are presented. They are a one-dimensional fermion gas, Bose-Einstein condensate (or superfluid), and one-dimensional antiferromagnet.

Dynamics of open quantum systems by interpolation of von Neumann and classical master equations, and its application to quantum annealing

NASA Astrophysics Data System (ADS)

Kadowaki, Tadashi

2018-02-01

We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously modify their solutions, thus coupling them indirectly instead of directly introducing a coupling term. This maintains the quantum system in a pure state even after the introduction of thermal effects and obtains not only a density matrix but also a state vector representation. Further, we demonstrate that the dynamics of a two-level system can be rewritten as a set of standard differential equations, resulting in quantum dynamics that includes thermal relaxation. These equations are equivalent to the optical Bloch equations at the weak coupling and asymptotic limits, implying that the dynamics cause thermal effects naturally. Numerical simulations of ferromagnetic and frustrated systems support this idea. Finally, we use this method to study thermal effects in quantum annealing, revealing nontrivial performance improvements for a spin glass model over a certain range of annealing time. This result may enable us to optimize the annealing time of real annealing machines.

An efficient quantum algorithm for spectral estimation

NASA Astrophysics Data System (ADS)

Steffens, Adrian; Rebentrost, Patrick; Marvian, Iman; Eisert, Jens; Lloyd, Seth

2017-03-01

We develop an efficient quantum implementation of an important signal processing algorithm for line spectral estimation: the matrix pencil method, which determines the frequencies and damping factors of signals consisting of finite sums of exponentially damped sinusoids. Our algorithm provides a quantum speedup in a natural regime where the sampling rate is much higher than the number of sinusoid components. Along the way, we develop techniques that are expected to be useful for other quantum algorithms as well—consecutive phase estimations to efficiently make products of asymmetric low rank matrices classically accessible and an alternative method to efficiently exponentiate non-Hermitian matrices. Our algorithm features an efficient quantum-classical division of labor: the time-critical steps are implemented in quantum superposition, while an interjacent step, requiring much fewer parameters, can operate classically. We show that frequencies and damping factors can be obtained in time logarithmic in the number of sampling points, exponentially faster than known classical algorithms.

Numerical simulation of quantum efficiency and surface recombination in HgCdTe IR photon-trapping structures

NASA Astrophysics Data System (ADS)

Schuster, Jonathan; Bellotti, Enrico

2013-06-01

We have investigated the quantum effiency in HgCdTe photovoltaic pixel arrays employing a photon-trapping structure realized with a periodic array of pillars intended to provide broadband operation. We have found that the quantum efficiency depends heavily on the passivation of the pillar surface. Pillars passivated with anodicoxide have a large fixed positive charge on the pillar surface. We use our three-dimensional numerical simulation model to study the effect of surface charge and surface recombination velocity on the exterior of the pillars. We then evaluate the quantum efficiency of this structure subject to different surface conditions. We have found that by themselves, the surface charge and surface recombination are detrimental to the quantum efficiency but the quantum efficiency is recovered when both phenomena are present. We will discuss the effects of these phenomena and the trade offs that exist between the two.

Deterministic generation of multiparticle entanglement by quantum Zeno dynamics.

PubMed

Barontini, Giovanni; Hohmann, Leander; Haas, Florian; Estève, Jérôme; Reichel, Jakob

2015-09-18

Multiparticle entangled quantum states, a key resource in quantum-enhanced metrology and computing, are usually generated by coherent operations exclusively. However, unusual forms of quantum dynamics can be obtained when environment coupling is used as part of the state generation. In this work, we used quantum Zeno dynamics (QZD), based on nondestructive measurement with an optical microcavity, to deterministically generate different multiparticle entangled states in an ensemble of 36 qubit atoms in less than 5 microseconds. We characterized the resulting states by performing quantum tomography, yielding a time-resolved account of the entanglement generation. In addition, we studied the dependence of quantum states on measurement strength and quantified the depth of entanglement. Our results show that QZD is a versatile tool for fast and deterministic entanglement generation in quantum engineering applications. Copyright © 2015, American Association for the Advancement of Science.

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions.

PubMed

Casolo, Simone; Martinazzo, Rocco; Bonfanti, Matteo; Tantardini, Gian Franco

2009-12-31

Eley-Rideal formation of hydrogen molecules on graphite, as well as competing collision induced processes, are investigated quantum dynamically at typical interstellar cloud conditions, focusing in particular on gas-phase temperatures below 100 K, where much of the chemistry of the so-called diffuse clouds takes place on the surface of bare carbonaceous dust grains. Collisions of gas-phase hydrogen atoms with both chemisorbed and physisorbed species are considered using available potential energy surfaces (Sha et al., J. Chem. Phys.2002 116, 7158), and state-to-state, energy-resolved cross sections are computed for a number of initial vibrational states of the hydrogen atoms bound to the surface. Results show that (i) product molecules are internally hot in both cases, with vibrational distributions sharply peaked around few (one or two) vibrational levels, and (ii) cross sections for chemisorbed species are 2-3x smaller than those for physisorbed ones. In particular, we find that H(2) formation cross sections out of chemically bound species decrease steadily when the temperature drops below approximately 1000 K, and this is likely due to a quantum reflection phenomenon. This suggests that such Eley-Rideal reaction is all but efficient in the relevant gas-phase temperature range, even when gas-phase H atoms happen to chemisorb barrierless to the surface as observed, e.g., for forming so-called para dimers. Comparison with results from classical trajectory calculations highlights the need of a quantum description of the dynamics in the astrophysically relevant energy range, whereas preliminary results of an extensive first-principles investigation of the reaction energetics reveal the importance of the adopted substrate model.

Noise-resilient quantum evolution steered by dynamical decoupling

PubMed Central

Liu, Gang-Qin; Po, Hoi Chun; Du, Jiangfeng; Liu, Ren-Bao; Pan, Xin-Yu

2013-01-01

Realistic quantum computing is subject to noise. Therefore, an important frontier in quantum computing is to implement noise-resilient quantum control over qubits. At the same time, dynamical decoupling can protect the coherence of qubits. Here we demonstrate non-trivial quantum evolution steered by dynamical decoupling control, which simultaneously suppresses noise effects. We design and implement a self-protected controlled-NOT gate on the electron spin of a nitrogen-vacancy centre and a nearby carbon-13 nuclear spin in diamond at room temperature, by employing an engineered dynamical decoupling control on the electron spin. Final state fidelity of 0.91(1) is observed in preparation of a Bell state using the gate. At the same time, the qubit coherence time is elongated at least 30 fold. The design scheme does not require the dynamical decoupling control to commute with the qubit interaction and therefore works for general qubit systems. This work marks a step towards implementing realistic quantum computing systems. PMID:23912335

Noise-resilient quantum evolution steered by dynamical decoupling.

PubMed

Liu, Gang-Qin; Po, Hoi Chun; Du, Jiangfeng; Liu, Ren-Bao; Pan, Xin-Yu

2013-01-01

Realistic quantum computing is subject to noise. Therefore, an important frontier in quantum computing is to implement noise-resilient quantum control over qubits. At the same time, dynamical decoupling can protect the coherence of qubits. Here we demonstrate non-trivial quantum evolution steered by dynamical decoupling control, which simultaneously suppresses noise effects. We design and implement a self-protected controlled-NOT gate on the electron spin of a nitrogen-vacancy centre and a nearby carbon-13 nuclear spin in diamond at room temperature, by employing an engineered dynamical decoupling control on the electron spin. Final state fidelity of 0.91(1) is observed in preparation of a Bell state using the gate. At the same time, the qubit coherence time is elongated at least 30 fold. The design scheme does not require the dynamical decoupling control to commute with the qubit interaction and therefore works for general qubit systems. This work marks a step towards implementing realistic quantum computing systems.

Type II GaSb quantum ring solar cells under concentrated sunlight.

PubMed

Tsai, Che-Pin; Hsu, Shun-Chieh; Lin, Shih-Yen; Chang, Ching-Wen; Tu, Li-Wei; Chen, Kun-Cheng; Lay, Tsong-Sheng; Lin, Chien-chung

2014-03-10

A type II GaSb quantum ring solar cell is fabricated and measured under the concentrated sunlight. The external quantum efficiency confirms the extended absorption from the quantum rings at long wavelength coinciding with the photoluminescence results. The short-circuit current of the quantum ring devices is 5.1% to 9.9% more than the GaAs reference's under various concentrations. While the quantum ring solar cell does not exceed its GaAs counterpart in efficiency under one-sun, the recovery of the open-circuit voltages at higher concentration helps to reverse the situation. A slightly higher efficiency (10.31% vs. 10.29%) is reported for the quantum ring device against the GaAs one.

Electron-Phonon Coupling and Resonant Relaxation from 1D and 1P States in PbS Quantum Dots.

PubMed

Kennehan, Eric R; Doucette, Grayson S; Marshall, Ashley R; Grieco, Christopher; Munson, Kyle T; Beard, Matthew C; Asbury, John B

2018-05-31

Observations of the hot-phonon bottleneck, which is predicted to slow the rate of hot carrier cooling in quantum confined nanocrystals, have been limited to date for reasons that are not fully understood. We used time-resolved infrared spectroscopy to directly measure higher energy intraband transitions in PbS colloidal quantum dots. Direct measurements of these intraband transitions permitted detailed analysis of the electronic overlap of the quantum confined states that may influence their relaxation processes. In smaller PbS nanocrystals, where the hot-phonon bottleneck is expected to be most pronounced, we found that relaxation of parity selection rules combined with stronger electron-phonon coupling led to greater spectral overlap of transitions among the quantum confined states. This created pathways for fast energy transfer and relaxation that may bypass the predicted hot-phonon bottleneck. In contrast, larger, but still quantum confined nanocrystals did not exhibit such relaxation of the parity selection rules and possessed narrower intraband states. These observations were consistent with slower relaxation dynamics that have been measured in larger quantum confined systems. These findings indicated that, at small radii, electron-phonon interactions overcome the advantageous increase in energetic separation of the electronic states for PbS quantum dots. Selection of appropriately sized quantum dots, which minimize spectral broadening due to electron-phonon interactions while maximizing electronic state separation, is necessary to observe the hot-phonon bottleneck. Such optimization may provide a framework for achieving efficient hot carrier collection and multiple exciton generation.

A comparison of the optical properties of InGaN/GaN multiple quantum well structures grown with and without Si-doped InGaN prelayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davies, M. J., E-mail: Matthew.Davies-2@Manchester.ac.uk; Hammersley, S.; Dawson, P.

In this paper, we report on a detailed spectroscopic study of the optical properties of InGaN/GaN multiple quantum well structures, both with and without a Si-doped InGaN prelayer. In photoluminescence and photoluminescence excitation spectroscopy, a 2nd emission band, occurring at a higher energy, was identified in the spectrum of the multiple quantum well structure containing the InGaN prelayer, originating from the first quantum well in the stack. Band structure calculations revealed that a reduction in the resultant electric field occurred in the quantum well immediately adjacent to the InGaN prelayer, therefore leading to a reduction in the strength of themore » quantum confined Stark effect in this quantum well. The partial suppression of the quantum confined Stark effect in this quantum well led to a modified (higher) emission energy and increased radiative recombination rate. Therefore, we ascribed the origin of the high energy emission band to recombination from the 1st quantum well in the structure. Study of the temperature dependent recombination dynamics of both samples showed that the decay time measured across the spectrum was strongly influenced by the 1st quantum well in the stack (in the sample containing the prelayer) leading to a shorter average room temperature lifetime in this sample. The room temperature internal quantum efficiency of the prelayer containing sample was found to be higher than the reference sample (36% compared to 25%) which was thus attributed to the faster radiative recombination rate of the 1st quantum well providing a recombination pathway that is more competitive with non-radiative recombination processes.« less

Quantum nonunital dynamics of spin-bath-assisted Fisher information

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hao, Xiang, E-mail: haoxiang-edu198126@163.com; Wu, Yinzhong

2016-04-15

The nonunital non-Markovian dynamics of qubits immersed in a spin bath is studied without any Markovian approximation. The environmental effects on the precisions of quantum parameter estimation are taken into account. The time-dependent transfer matrix and inhomogeneity vector are obtained for the description of the open dynamical process. The dynamical behaviour of one qubit coupled to a spin bath is geometrically described by the Bloch vector. It is found out that the nonunital non-Markovian effects can engender the improvement of the precision of quantum parameter estimation. This result contributes to the environment-assisted quantum information theory.

Anharmonic quantum mechanical systems do not feature phase space trajectories

NASA Astrophysics Data System (ADS)

Oliva, Maxime; Kakofengitis, Dimitris; Steuernagel, Ole

2018-07-01

Phase space dynamics in classical mechanics is described by transport along trajectories. Anharmonic quantum mechanical systems do not allow for a trajectory-based description of their phase space dynamics. This invalidates some approaches to quantum phase space studies. We first demonstrate the absence of trajectories in general terms. We then give an explicit proof for all quantum phase space distributions with negative values: we show that the generation of coherences in anharmonic quantum mechanical systems is responsible for the occurrence of singularities in their phase space velocity fields, and vice versa. This explains numerical problems repeatedly reported in the literature, and provides deeper insight into the nature of quantum phase space dynamics.

Observation of quasiperiodic dynamics in a one-dimensional quantum walk of single photons in space

NASA Astrophysics Data System (ADS)

Xue, Peng; Qin, Hao; Tang, Bao; Sanders, Barry C.

2014-05-01

We realize the quasi-periodic dynamics of a quantum walker over 2.5 quasi-periods by realizing the walker as a single photon passing through a quantum-walk optical-interferometer network. We introduce fully controllable polarization-independent phase shifters in each optical path to realize arbitrary site-dependent phase shifts, and employ large clear-aperture beam displacers, while maintaining high-visibility interference, to enable 10 quantum-walk steps to be reached. By varying the half-wave-plate setting, we control the quantum-coin bias thereby observing a transition from quasi-periodic dynamics to ballistic diffusion.

Protected quantum computing: interleaving gate operations with dynamical decoupling sequences.

PubMed

Zhang, Jingfu; Souza, Alexandre M; Brandao, Frederico Dias; Suter, Dieter

2014-02-07

Implementing precise operations on quantum systems is one of the biggest challenges for building quantum devices in a noisy environment. Dynamical decoupling attenuates the destructive effect of the environmental noise, but so far, it has been used primarily in the context of quantum memories. Here, we experimentally demonstrate a general scheme for combining dynamical decoupling with quantum logical gate operations using the example of an electron-spin qubit of a single nitrogen-vacancy center in diamond. We achieve process fidelities >98% for gate times that are 2 orders of magnitude longer than the unprotected dephasing time T2.

Nonlinear dynamics and quantum entanglement in optomechanical systems.

PubMed

Wang, Guanglei; Huang, Liang; Lai, Ying-Cheng; Grebogi, Celso

2014-03-21

To search for and exploit quantum manifestations of classical nonlinear dynamics is one of the most fundamental problems in physics. Using optomechanical systems as a paradigm, we address this problem from the perspective of quantum entanglement. We uncover strong fingerprints in the quantum entanglement of two common types of classical nonlinear dynamical behaviors: periodic oscillations and quasiperiodic motion. There is a transition from the former to the latter as an experimentally adjustable parameter is changed through a critical value. Accompanying this process, except for a small region about the critical value, the degree of quantum entanglement shows a trend of continuous increase. The time evolution of the entanglement measure, e.g., logarithmic negativity, exhibits a strong dependence on the nature of classical nonlinear dynamics, constituting its signature.

Combination of Wavefunction and Density Functional Approximations for Describing Electronic Correlation

NASA Astrophysics Data System (ADS)

Garza, Alejandro J.

Perhaps the most important approximations to the electronic structure problem in quantum chemistry are those based on coupled cluster and density functional theories. Coupled cluster theory has been called the ``gold standard'' of quantum chemistry due to the high accuracy that it achieves for weakly correlated systems. Kohn-Sham density functionals based on semilocal approximations are, without a doubt, the most widely used methods in chemistry and material science because of their high accuracy/cost ratio. The root of the success of coupled cluster and density functionals is their ability to efficiently describe the dynamic part of the electron correlation. However, both traditional coupled cluster and density functional approximations may fail catastrophically when substantial static correlation is present. This severely limits the applicability of these methods to a plethora of important chemical and physical problems such as, e.g., the description of bond breaking, transition states, transition metal-, lanthanide- and actinide-containing compounds, and superconductivity. In an attempt to tackle this problem, nonstandard (single-reference) coupled cluster-based techniques that aim to describe static correlation have been recently developed: pair coupled cluster doubles (pCCD) and singlet-paired coupled cluster doubles (CCD0). The ability to describe static correlation in pCCD and CCD0 comes, however, at the expense of important amounts of dynamic correlation so that the high accuracy of standard coupled cluster becomes unattainable. Thus, the reliable and efficient description of static and dynamic correlation in a simultaneous manner remains an open problem for quantum chemistry and many-body theory in general. In this thesis, different ways to combine pCCD and CCD0 with density functionals in order to describe static and dynamic correlation simultaneously (and efficiently) are explored. The combination of wavefunction and density functional methods has a long history in quantum chemistry (practical implementations have appeared in the literature since the 1970s). However, this kind of techniques have not achieved widespread use due to problems such as double counting of correlation and the symmetry dilemma--the fact that wavefunction methods respect the symmetries of Hamiltonian, while modern functionals are designed to work with broken symmetry densities. Here, particular mathematical features of pCCD and CCD0 are exploited to avoid these problems in an efficient manner. The two resulting families of approximations, denoted as pCCD+DFT and CCD0+DFT, are shown to be able to describe static and dynamic correlation in standard benchmark calculations. Furthermore, it is also shown that CCD0+DFT lends itself to combination with correlation from the direct random phase approximation (dRPA). Inclusion of dRPA in the long-range via the technique of range-separation allows for the description of dispersion correlation, the remaining part of the correlation. Thus, when combined with the dRPA, CCD0+DFT can account for all three-types of electron correlation that are necessary to accurately describe molecular systems. Lastly, applications of CCD0+DFT to actinide chemistry are considered in this work. The accuracy of CCD0+DFT for predicting equilibrium geometries and vibrational frequencies of actinide molecules and ions is assessed and compared to that of well-established quantum chemical methods. For this purpose, the f0 actinyl series (UO2 2+, NpO 23+, PuO24+, the isoelectronic NUN, and Thorium (ThO, ThO2+) and Nobelium (NoO, NoO2) oxides are studied. It is shown that the CCD0+DFT description of these species agrees with available experimental data and is comparable with the results given by the highest-level calculations that are possible for such heavy compounds while being, at least, an order of magnitude lower in computational cost.

Function Package for Computing Quantum Resource Measures

NASA Astrophysics Data System (ADS)

Huang, Zhiming

2018-05-01

In this paper, we present a function package for to calculate quantum resource measures and dynamics of open systems. Our package includes common operators and operator lists, frequently-used functions for computing quantum entanglement, quantum correlation, quantum coherence, quantum Fisher information and dynamics in noisy environments. We briefly explain the functions of the package and illustrate how to use the package with several typical examples. We expect that this package is a useful tool for future research and education.

Experimental demonstration of selective quantum process tomography on an NMR quantum information processor

NASA Astrophysics Data System (ADS)

Gaikwad, Akshay; Rehal, Diksha; Singh, Amandeep; Arvind, Dorai, Kavita

2018-02-01

We present the NMR implementation of a scheme for selective and efficient quantum process tomography without ancilla. We generalize this scheme such that it can be implemented efficiently using only a set of measurements involving product operators. The method allows us to estimate any element of the quantum process matrix to a desired precision, provided a set of quantum states can be prepared efficiently. Our modified technique requires fewer experimental resources as compared to the standard implementation of selective and efficient quantum process tomography, as it exploits the special nature of NMR measurements to allow us to compute specific elements of the process matrix by a restrictive set of subsystem measurements. To demonstrate the efficacy of our scheme, we experimentally tomograph the processes corresponding to "no operation," a controlled-NOT (CNOT), and a controlled-Hadamard gate on a two-qubit NMR quantum information processor, with high fidelities.

Highly Efficient Coherent Optical Memory Based on Electromagnetically Induced Transparency

NASA Astrophysics Data System (ADS)

Hsiao, Ya-Fen; Tsai, Pin-Ju; Chen, Hung-Shiue; Lin, Sheng-Xiang; Hung, Chih-Chiao; Lee, Chih-Hsi; Chen, Yi-Hsin; Chen, Yong-Fan; Yu, Ite A.; Chen, Ying-Cheng

2018-05-01

Quantum memory is an important component in the long-distance quantum communication based on the quantum repeater protocol. To outperform the direct transmission of photons with quantum repeaters, it is crucial to develop quantum memories with high fidelity, high efficiency and a long storage time. Here, we achieve a storage efficiency of 92.0 (1.5)% for a coherent optical memory based on the electromagnetically induced transparency scheme in optically dense cold atomic media. We also obtain a useful time-bandwidth product of 1200, considering only storage where the retrieval efficiency remains above 50%. Both are the best record to date in all kinds of schemes for the realization of optical memory. Our work significantly advances the pursuit of a high-performance optical memory and should have important applications in quantum information science.

Highly Efficient Coherent Optical Memory Based on Electromagnetically Induced Transparency.

PubMed

Hsiao, Ya-Fen; Tsai, Pin-Ju; Chen, Hung-Shiue; Lin, Sheng-Xiang; Hung, Chih-Chiao; Lee, Chih-Hsi; Chen, Yi-Hsin; Chen, Yong-Fan; Yu, Ite A; Chen, Ying-Cheng

2018-05-04

Quantum memory is an important component in the long-distance quantum communication based on the quantum repeater protocol. To outperform the direct transmission of photons with quantum repeaters, it is crucial to develop quantum memories with high fidelity, high efficiency and a long storage time. Here, we achieve a storage efficiency of 92.0 (1.5)% for a coherent optical memory based on the electromagnetically induced transparency scheme in optically dense cold atomic media. We also obtain a useful time-bandwidth product of 1200, considering only storage where the retrieval efficiency remains above 50%. Both are the best record to date in all kinds of schemes for the realization of optical memory. Our work significantly advances the pursuit of a high-performance optical memory and should have important applications in quantum information science.

Experimental on-demand recovery of entanglement by local operations within non-Markovian dynamics

PubMed Central

Orieux, Adeline; D'Arrigo, Antonio; Ferranti, Giacomo; Franco, Rosario Lo; Benenti, Giuliano; Paladino, Elisabetta; Falci, Giuseppe; Sciarrino, Fabio; Mataloni, Paolo

2015-01-01

In many applications entanglement must be distributed through noisy communication channels that unavoidably degrade it. Entanglement cannot be generated by local operations and classical communication (LOCC), implying that once it has been distributed it is not possible to recreate it by LOCC. Recovery of entanglement by purely local control is however not forbidden in the presence of non-Markovian dynamics, and here we demonstrate in two all-optical experiments that such entanglement restoration can even be achieved on-demand. First, we implement an open-loop control scheme based on a purely local operation, without acquiring any information on the environment; then, we use a closed-loop scheme in which the environment is measured, the outcome controling the local operations on the system. The restored entanglement is a manifestation of “hidden” quantum correlations resumed by the local control. Relying on local control, both schemes improve the efficiency of entanglement sharing in distributed quantum networks. PMID:25712406

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

PubMed

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-05

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins

NASA Astrophysics Data System (ADS)

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-01

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

PubMed

Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

2014-11-14

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

Note on transmitted complexity for quantum dynamical systems

NASA Astrophysics Data System (ADS)

Watanabe, Noboru; Muto, Masahiro

2017-10-01

Transmitted complexity (mutual entropy) is one of the important measures for quantum information theory developed recently in several ways. We will review the fundamental concepts of the Kossakowski, Ohya and Watanabe entropy and define a transmitted complexity for quantum dynamical systems. This article is part of the themed issue `Second quantum revolution: foundational questions'.

Mapping quantum-classical Liouville equation: projectors and trajectories.

PubMed

Kelly, Aaron; van Zon, Ramses; Schofield, Jeremy; Kapral, Raymond

2012-02-28

The evolution of a mixed quantum-classical system is expressed in the mapping formalism where discrete quantum states are mapped onto oscillator states, resulting in a phase space description of the quantum degrees of freedom. By defining projection operators onto the mapping states corresponding to the physical quantum states, it is shown that the mapping quantum-classical Liouville operator commutes with the projection operator so that the dynamics is confined to the physical space. It is also shown that a trajectory-based solution of this equation can be constructed that requires the simulation of an ensemble of entangled trajectories. An approximation to this evolution equation which retains only the Poisson bracket contribution to the evolution operator does admit a solution in an ensemble of independent trajectories but it is shown that this operator does not commute with the projection operators and the dynamics may take the system outside the physical space. The dynamical instabilities, utility, and domain of validity of this approximate dynamics are discussed. The effects are illustrated by simulations on several quantum systems.

Quantum Markov chains

NASA Astrophysics Data System (ADS)

Gudder, Stanley

2008-07-01

A new approach to quantum Markov chains is presented. We first define a transition operation matrix (TOM) as a matrix whose entries are completely positive maps whose column sums form a quantum operation. A quantum Markov chain is defined to be a pair (G,E) where G is a directed graph and E =[Eij] is a TOM whose entry Eij labels the edge from vertex j to vertex i. We think of the vertices of G as sites that a quantum system can occupy and Eij is the transition operation from site j to site i in one time step. The discrete dynamics of the system is obtained by iterating the TOM E. We next consider a special type of TOM called a transition effect matrix. In this case, there are two types of dynamics, a state dynamics and an operator dynamics. Although these two types are not identical, they are statistically equivalent. We next give examples that illustrate various properties of quantum Markov chains. We conclude by showing that our formalism generalizes the usual framework for quantum random walks.

Quantum-like model of unconscious–conscious dynamics

PubMed Central

Khrennikov, Andrei

2015-01-01

We present a quantum-like model of sensation–perception dynamics (originated in Helmholtz theory of unconscious inference) based on the theory of quantum apparatuses and instruments. We illustrate our approach with the model of bistable perception of a particular ambiguous figure, the Schröder stair. This is a concrete model for unconscious and conscious processing of information and their interaction. The starting point of our quantum-like journey was the observation that perception dynamics is essentially contextual which implies impossibility of (straightforward) embedding of experimental statistical data in the classical (Kolmogorov, 1933) framework of probability theory. This motivates application of nonclassical probabilistic schemes. And the quantum formalism provides a variety of the well-approved and mathematically elegant probabilistic schemes to handle results of measurements. The theory of quantum apparatuses and instruments is the most general quantum scheme describing measurements and it is natural to explore it to model the sensation–perception dynamics. In particular, this theory provides the scheme of indirect quantum measurements which we apply to model unconscious inference leading to transition from sensations to perceptions. PMID:26283979

Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klymenko, M. V.; Klein, M.; Levine, R. D.

2016-07-14

A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states correspondsmore » to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.« less

Quantum Trajectories and Their Statistics for Remotely Entangled Quantum Bits

NASA Astrophysics Data System (ADS)

Chantasri, Areeya; Kimchi-Schwartz, Mollie E.; Roch, Nicolas; Siddiqi, Irfan; Jordan, Andrew N.

2016-10-01

We experimentally and theoretically investigate the quantum trajectories of jointly monitored transmon qubits embedded in spatially separated microwave cavities. Using nearly quantum-noise-limited superconducting amplifiers and an optimized setup to reduce signal loss between cavities, we can efficiently track measurement-induced entanglement generation as a continuous process for single realizations of the experiment. The quantum trajectories of transmon qubits naturally split into low and high entanglement classes. The distribution of concurrence is found at any given time, and we explore the dynamics of entanglement creation in the state space. The distribution exhibits a sharp cutoff in the high concurrence limit, defining a maximal concurrence boundary. The most-likely paths of the qubits' trajectories are also investigated, resulting in three probable paths, gradually projecting the system to two even subspaces and an odd subspace, conforming to a "half-parity" measurement. We also investigate the most-likely time for the individual trajectories to reach their most entangled state, and we find that there are two solutions for the local maximum, corresponding to the low and high entanglement routes. The theoretical predictions show excellent agreement with the experimental entangled-qubit trajectory data.

Ultrafast light matter interaction in CdSe/ZnS core-shell quantum dots

NASA Astrophysics Data System (ADS)

Yadav, Rajesh Kumar; Sharma, Rituraj; Mondal, Anirban; Adarsh, K. V.

2018-04-01

Core-shell quantum dot are imperative for carrier (electron and holes) confinement in core/shell, which provides a stage to explore the linear and nonlinear optical phenomena at the nanoscalelimit. Here we present a comprehensive study of ultrafast excitation dynamics and nonlinear optical absorption of CdSe/ZnS core shell quantum dot with the help of ultrafast spectroscopy. Pump-probe and time-resolved measurements revealed the drop of trapping at CdSe surface due to the presence of the ZnS shell, which makes more efficient photoluminescence. We have carried out femtosecond transient absorption studies of the CdSe/ZnS core-shell quantum dot by irradiation with 400 nm laser light, monitoring the transients in the visible region. The optical nonlinearity of the core-shell quantum dot studied by using the Z-scan technique with 120 fs pulses at the wavelengths of 800 nm. The value of two photon absorption coefficients (β) of core-shell QDs extracted as80cm/GW, and it shows excellent benchmark for the optical limiting onset of 2.5GW/cm2 with the low limiting differential transmittance of 0.10, that is an order of magnitude better than graphene based materials.

Continuous-time quantum walk on an extended star graph: Trapping and superradiance transition

NASA Astrophysics Data System (ADS)

Yalouz, Saad; Pouthier, Vincent

2018-02-01

A tight-binding model is introduced for describing the dynamics of an exciton on an extended star graph whose central node is occupied by a trap. On this graph, the exciton dynamics is governed by two kinds of eigenstates: many eigenstates are associated with degenerate real eigenvalues insensitive to the trap, whereas three decaying eigenstates characterized by complex energies contribute to the trapping process. It is shown that the excitonic population absorbed by the trap depends on the size of the graph, only. By contrast, both the size parameters and the absorption rate control the dynamics of the trapping. When these parameters are judiciously chosen, the efficiency of the transfer is optimized resulting in the minimization of the absorption time. Analysis of the eigenstates reveals that such a feature arises around the superradiance transition. Moreover, depending on the size of the network, two situations are highlighted where the transport efficiency is either superoptimized or suboptimized.

Out-of-time-ordered measurements as a probe of quantum dynamics

NASA Astrophysics Data System (ADS)

Bordia, Pranjal; Alet, Fabien; Hosur, Pavan

2018-03-01

Probing the out-of-equilibrium dynamics of quantum matter has gained renewed interest owing to immense experimental progress in artificial quantum systems. Dynamical quantum measures such as the growth of entanglement entropy and out-of-time-ordered correlators (OTOCs) have been shown to provide great insight by exposing subtle quantum features invisible to traditional measures such as mass transport. However, measuring them in experiments requires either identical copies of the system, an ancilla qubit coupled to the whole system, or many measurements on a single copy, thereby making scalability extremely complex and hence, severely limiting their potential. Here, we introduce an alternative quantity, the out-of-time-ordered measurement (OTOM), which involves measuring a single observable on a single copy of the system, while retaining the distinctive features of the OTOCs. We show, theoretically, that OTOMs are closely related to OTOCs in a doubled system with the same quantum statistical properties as the original system. Using exact diagonalization, we numerically simulate classical mass transport, as well as quantum dynamics through computations of the OTOC, the OTOM, and the entanglement entropy in quantum spin chain models in various interesting regimes (including chaotic and many-body localized systems). Our results demonstrate that an OTOM can successfully reveal subtle aspects of quantum dynamics hidden to classical measures and, crucially, provide experimental access to them.

6.5% efficient perovskite quantum-dot-sensitized solar cell.

PubMed

Im, Jeong-Hyeok; Lee, Chang-Ryul; Lee, Jin-Wook; Park, Sang-Won; Park, Nam-Gyu

2011-10-05

Highly efficient quantum-dot-sensitized solar cell is fabricated using ca. 2-3 nm sized perovskite (CH(3)NH(3))PbI(3) nanocrystal. Spin-coating of the equimolar mixture of CH(3)NH(3)I and PbI(2) in γ-butyrolactone solution (perovskite precursor solution) leads to (CH(3)NH(3))PbI(3) quantum dots (QDs) on nanocrystalline TiO(2) surface. By electrochemical junction with iodide/iodine based redox electrolyte, perovskite QD-sensitized 3.6 μm-thick TiO(2) film shows maximum external quantum efficiency (EQE) of 78.6% at 530 nm and solar-to-electrical conversion efficiency of 6.54% at AM 1.5G 1 sun intensity (100 mW cm(-2)), which is by far the highest efficiency among the reported inorganic quantum dot sensitizers.

Many-Body Quantum Chaos and Entanglement in a Quantum Ratchet

NASA Astrophysics Data System (ADS)

Valdez, Marc Andrew; Shchedrin, Gavriil; Heimsoth, Martin; Creffield, Charles E.; Sols, Fernando; Carr, Lincoln D.

2018-06-01

We uncover signatures of quantum chaos in the many-body dynamics of a Bose-Einstein condensate-based quantum ratchet in a toroidal trap. We propose measures including entanglement, condensate depletion, and spreading over a fixed basis in many-body Hilbert space, which quantitatively identify the region in which quantum chaotic many-body dynamics occurs, where random matrix theory is limited or inaccessible. With these tools, we show that many-body quantum chaos is neither highly entangled nor delocalized in the Hilbert space, contrary to conventionally expected signatures of quantum chaos.

Many-Body Quantum Chaos and Entanglement in a Quantum Ratchet.

PubMed

Valdez, Marc Andrew; Shchedrin, Gavriil; Heimsoth, Martin; Creffield, Charles E; Sols, Fernando; Carr, Lincoln D

2018-06-08

We uncover signatures of quantum chaos in the many-body dynamics of a Bose-Einstein condensate-based quantum ratchet in a toroidal trap. We propose measures including entanglement, condensate depletion, and spreading over a fixed basis in many-body Hilbert space, which quantitatively identify the region in which quantum chaotic many-body dynamics occurs, where random matrix theory is limited or inaccessible. With these tools, we show that many-body quantum chaos is neither highly entangled nor delocalized in the Hilbert space, contrary to conventionally expected signatures of quantum chaos.

Energy and Information Transfer Via Coherent Exciton Wave Packets

NASA Astrophysics Data System (ADS)

Zang, Xiaoning

Electronic excitons are bound electron-hole states that are generated when light interacts with matter. Such excitations typically entangle with phonons and rapidly decohere; the resulting electronic state dynamics become diffusive as a result. However, if the exciton-phonon coupling can be reduced, it may be possible to construct excitonic wave packets that offer a means of efficiently transmitting information and energy. This thesis is a combined theory/computation investigation to design condensed matter systems which support the requisite coherent transport. Under the idealizing assumption that exciton-phonon entanglement could be completely suppressed, the majority of this thesis focuses on the creation and manipulation of exciton wave packets in quasi-one-dimensional systems. While each site could be a silicon quantum dot, the actual implementation focused on organic molecular assemblies for the sake of computational simplicity, ease of experimental implementation, potential for coherent transport, and promise because of reduced structural uncertainty. A laser design was derived to create exciton wave packets with tunable shape and speed. Quantum interference was then exploited to manipulate these packets to block, pass, and even dissociate excitons based on their energies. These developments allow exciton packets to be considered within the arena of quantum information science. The concept of controllable excitonic wave packets was subsequently extended to consider molecular designs that allow photons with orbital angular momentum to be absorbed to create excitons with a quasi-angular momentum of their own. It was shown that a well-defined measure of topological charge is conserved in such light-matter interactions. Significantly, it was also discovered that such molecules allow photon angular momenta to be combined and later emitted. This amounts to a new way of up/down converting photonic angular momentum without relying on nonlinear optical materials. The associated excitations were dubbed twisted excitons. Twisted exciton packets can be manipulated as they travel down molecular chains, and this has applications in quantum information science as well. In each setting considered, exciton dynamics were initially studied using a simple tight-binding formalism. This misses the actual many-body interactions and multiple energy levels associated real systems. To remedy this, I adapted an existing time-domain Density Functional Theory code and applied it to study the dynamics of exciton wave packets on quasi-one-dimensional systems. This required the use of high-performance computing and the construction of a number of key auxiliary codes. Establishing the requisite methodology constituted a substantial part of the entire thesis. Surprisingly, this effort uncovered a computational issue associated with Rabi oscillations that had been incorrectly characterized in the literature. My research elucidated the actual problem and a solution was found. This new methodology was an integral part of the overall computational analysis. The thesis then takes up the a detailed consideration of the prospect for creating systems that support a strong measure of transport coherence. While physical implementations include molecular assemblies, solid-state superlattices, and even optical lattices, I decided to focus on assemblies of nanometer-sized silicon quantum dots. First principles computational analysis was used to quantify reorganization within individual dots and excitonic coupling between dots. Quantum dot functionalizations were identified that make it plausible to maintain a measure of excitonic coherence even at room temperatures. Attention was then turned to the use of covalently bonded bridge material to join quantum dots in a way that facilitates efficient exciton transfer. Both carbon and silicon structures were considered by considering the way in which subunits might be best brought together. This resulted in a set of design criteria which were then evaluated using first-principles, excited state analyses. It was found that efficient exciton transfer is indeed possible. When coupled to the previous quantum dot functionalizations, the notion that quantum dot materials could support partially coherent exciton wave packets was determined to be quite reasonable.

Generalized Bell states map physical systems’ quantum evolution into a grammar for quantum information processing

NASA Astrophysics Data System (ADS)

Delgado, Francisco

2017-12-01

Quantum information processing should be generated through control of quantum evolution for physical systems being used as resources, such as superconducting circuits, spinspin couplings in ions and artificial anyons in electronic gases. They have a quantum dynamics which should be translated into more natural languages for quantum information processing. On this terrain, this language should let to establish manipulation operations on the associated quantum information states as classical information processing does. This work shows how a kind of processing operations can be settled and implemented for quantum states design and quantum processing for systems fulfilling a SU(2) reduction in their dynamics.

GaN Light-Emitting Triodes (LETs) for High-Efficiency Hole Injection and for Assessment of the Physical Origin of the Efficiency Droop

DTIC Science & Technology

2007-07-06

quantum efficiency . In AlGaN-based UV LEDs, an electron-blocking layer (EBL) is frequently inserted between the p-type cladding layer and the active...me). This limits the hole injection efficiency into the active region, and hence internal quantum efficiency . Figure 1: (a) Schematic band...less efficient than along the lateral direction because most of the holes ionized from the acceptors are localized inside the quantum wells which are

Post-Markovian dynamics of quantum correlations: entanglement versus discord

NASA Astrophysics Data System (ADS)

Mohammadi, Hamidreza

2017-02-01

Dynamics of an open two-qubit system is investigated in the post-Markovian regime, where the environments have a short-term memory. Each qubit is coupled to separate environment which is held in its own temperature. The inter-qubit interaction is modeled by XY-Heisenberg model in the presence of spin-orbit interaction and inhomogeneous magnetic field. The dynamical behavior of entanglement and discord has been considered. The results show that quantum discord is more robust than quantum entanglement, during the evolution. Also the asymmetric feature of quantum discord can be monitored by introducing the asymmetries due to inhomogeneity of magnetic field and temperature difference between the reservoirs. By employing proper parameters of the model, it is possible to maintain nonvanishing quantum correlation at high degree of temperature. The results can provide a useful recipe for studying dynamical behavior of two-qubit systems such as trapped spin electrons in coupled quantum dots.

Aging dynamics of quantum spin glasses of rotors

NASA Astrophysics Data System (ADS)

Kennett, Malcolm P.; Chamon, Claudio; Ye, Jinwu

2001-12-01

We study the long time dynamics of quantum spin glasses of rotors using the nonequilibrium Schwinger-Keldysh formalism. These models are known to have a quantum phase transition from a paramagnetic to a spin-glass phase, which we approach by looking at the divergence of the spin-relaxation rate at the transition point. In the aging regime, we determine the dynamical equations governing the time evolution of the spin response and correlation functions, and show that all terms in the equations that arise solely from quantum effects are irrelevant at long times under time reparametrization group (RPG) transformations. At long times, quantum effects enter only through the renormalization of the parameters in the dynamical equations for the classical counterpart of the rotor model. Consequently, quantum effects only modify the out-of-equilibrium fluctuation-dissipation relation (OEFDR), i.e. the ratio X between the temperature and the effective temperature, but not the form of the classical OEFDR.

Universal quantum uncertainty relations between nonergodicity and loss of information

NASA Astrophysics Data System (ADS)

Awasthi, Natasha; Bhattacharya, Samyadeb; SenDe, Aditi; Sen, Ujjwal

2018-03-01

We establish uncertainty relations between information loss in general open quantum systems and the amount of nonergodicity of the corresponding dynamics. The relations hold for arbitrary quantum systems interacting with an arbitrary quantum environment. The elements of the uncertainty relations are quantified via distance measures on the space of quantum density matrices. The relations hold for arbitrary distance measures satisfying a set of intuitively satisfactory axioms. The relations show that as the nonergodicity of the dynamics increases, the lower bound on information loss decreases, which validates the belief that nonergodicity plays an important role in preserving information of quantum states undergoing lossy evolution. We also consider a model of a central qubit interacting with a fermionic thermal bath and derive its reduced dynamics to subsequently investigate the information loss and nonergodicity in such dynamics. We comment on the "minimal" situations that saturate the uncertainty relations.

Zeno subspace in quantum-walk dynamics

NASA Astrophysics Data System (ADS)

Chandrashekar, C. M.

2010-11-01

We investigate discrete-time quantum-walk evolution under the influence of periodic measurements in position subspace. The undisturbed survival probability of the particle at the position subspace P(0,t) is compared with the survival probability after frequent (n) measurements at interval τ=t/n, P(0,τ)n. We show that P(0,τ)n>P(0,t) leads to the quantum Zeno effect in position subspace when a parameter θ in the quantum coin operations and frequency of measurements is greater than the critical value, θ>θc and n>nc. This Zeno effect in the subspace preserves the dynamics in coin Hilbert space of the walk dynamics and has the potential to play a significant role in quantum tasks such as preserving the quantum state of the particle at any particular position, and to understand the Zeno dynamics in a multidimensional system that is highly transient in nature.

Enhancing the absorption and energy transfer process via quantum entanglement

NASA Astrophysics Data System (ADS)

Zong, Xiao-Lan; Song, Wei; Zhou, Jian; Yang, Ming; Yu, Long-Bao; Cao, Zhuo-Liang

2018-07-01

The quantum network model is widely used to describe the dynamics of excitation energy transfer in photosynthesis complexes. Different from the previous schemes, we explore a specific network model, which includes both light-harvesting and energy transfer process. Here, we define a rescaled measure to manifest the energy transfer efficiency from external driving to the sink, and the external driving fields are used to simulate the energy absorption process. To study the role of initial state in the light-harvesting and energy transfer process, we assume the initial state of the donors to be two-qubit and three-qubit entangled states, respectively. In the two-qubit initial state case, we find that the initial entanglement between the donors can help to improve the absorption and energy transfer process for both the near-resonant and large-detuning cases. For the case of three-qubit initial state, we can see that the transfer efficiency will reach a larger value faster in the tripartite entanglement case compared to the bipartite entanglement case.

Effects of Organic Cation Length on Exciton Recombination in Two-Dimensional Layered Lead Iodide Hybrid Perovskite Crystals.

PubMed

Gan, Lu; Li, Jing; Fang, Zhishan; He, Haiping; Ye, Zhizhen

2017-10-19

In recent years, 2D layered organic-inorganic lead halide perovskites have attracted considerable attention due to the distinctive quantum confinement effects as well as prominent excitonic luminescence. Herein, we show that the recombination dynamics and photoluminescence (PL) of the 2D layered perovskites can be tuned by the organic cation length. 2D lead iodide perovskite crystals with increased length of the organic chains reveal blue-shifted PL as well as enhanced relative internal quantum efficiency. Furthermore, we provide experimental evidence that the formation of face-sharing [PbI 6 ] 4- octahedron in perovskites with long alkyls induces additional confinement for the excitons, leading to 1D-like recombination. As a result, the PL spectra show enhanced inhomogeneous broadening at low temperature. Our work provides physical understanding of the role of organic cation in the optical properties of 2D layered perovskites, and would benefit the improvement of luminescence efficiency of such materials.

SELF-HEALING NANOMATERIALS: MULTIMILLION-ATOM REACTIVE MOLECULAR DYNAMICS SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hakamata, Tomoya; Shimamura, Kohei; Shimojo, Fuyuki

Organometal halide perovskites are attracting great attention as promising material for solar cells because of their high power conversion efficiency. The high performance has been attributed to the existence of free charge carriers and their large diffusion lengths, but the nature of carrier transport at the atomistic level remains elusive. Here, nonadiabatic quantum molecular dynamics simulations elucidate the mechanisms underlying the excellent free-carrier transport in CH 3NH 3PbI 3. Pb and I sublattices act as disjunct pathways for rapid and balanced transport of photoexcited electrons and holes, respectively, while minimizing efficiency-degrading charge recombination. On the other hand, CH 3NH 3more » sublattice quickly screens out electrostatic electron-hole attraction to generate free carriers within 1 ps. Together this nano-architecture lets photoexcited electrons and holes dissociate instantaneously and travel far away to be harvested before dissipated as heat. As a result, this work provides much needed structure-property relationships and time-resolved information that potentially lead to rational design of efficient solar cells.« less

Quantum walks and wavepacket dynamics on a lattice with twisted photons.

PubMed

Cardano, Filippo; Massa, Francesco; Qassim, Hammam; Karimi, Ebrahim; Slussarenko, Sergei; Paparo, Domenico; de Lisio, Corrado; Sciarrino, Fabio; Santamato, Enrico; Boyd, Robert W; Marrucci, Lorenzo

2015-03-01

The "quantum walk" has emerged recently as a paradigmatic process for the dynamic simulation of complex quantum systems, entanglement production and quantum computation. Hitherto, photonic implementations of quantum walks have mainly been based on multipath interferometric schemes in real space. We report the experimental realization of a discrete quantum walk taking place in the orbital angular momentum space of light, both for a single photon and for two simultaneous photons. In contrast to previous implementations, the whole process develops in a single light beam, with no need of interferometers; it requires optical resources scaling linearly with the number of steps; and it allows flexible control of input and output superposition states. Exploiting the latter property, we explored the system band structure in momentum space and the associated spin-orbit topological features by simulating the quantum dynamics of Gaussian wavepackets. Our demonstration introduces a novel versatile photonic platform for quantum simulations.

Quantum walks and wavepacket dynamics on a lattice with twisted photons

PubMed Central

Cardano, Filippo; Massa, Francesco; Qassim, Hammam; Karimi, Ebrahim; Slussarenko, Sergei; Paparo, Domenico; de Lisio, Corrado; Sciarrino, Fabio; Santamato, Enrico; Boyd, Robert W.; Marrucci, Lorenzo

2015-01-01

The “quantum walk” has emerged recently as a paradigmatic process for the dynamic simulation of complex quantum systems, entanglement production and quantum computation. Hitherto, photonic implementations of quantum walks have mainly been based on multipath interferometric schemes in real space. We report the experimental realization of a discrete quantum walk taking place in the orbital angular momentum space of light, both for a single photon and for two simultaneous photons. In contrast to previous implementations, the whole process develops in a single light beam, with no need of interferometers; it requires optical resources scaling linearly with the number of steps; and it allows flexible control of input and output superposition states. Exploiting the latter property, we explored the system band structure in momentum space and the associated spin-orbit topological features by simulating the quantum dynamics of Gaussian wavepackets. Our demonstration introduces a novel versatile photonic platform for quantum simulations. PMID:26601157

Quantum decision-maker theory and simulation

NASA Astrophysics Data System (ADS)

Zak, Michail; Meyers, Ronald E.; Deacon, Keith S.

2000-07-01

A quantum device simulating the human decision making process is introduced. It consists of quantum recurrent nets generating stochastic processes which represent the motor dynamics, and of classical neural nets describing the evolution of probabilities of these processes which represent the mental dynamics. The autonomy of the decision making process is achieved by a feedback from the mental to motor dynamics which changes the stochastic matrix based upon the probability distribution. This feedback replaces unavailable external information by an internal knowledge- base stored in the mental model in the form of probability distributions. As a result, the coupled motor-mental dynamics is described by a nonlinear version of Markov chains which can decrease entropy without an external source of information. Applications to common sense based decisions as well as to evolutionary games are discussed. An example exhibiting self-organization is computed using quantum computer simulation. Force on force and mutual aircraft engagements using the quantum decision maker dynamics are considered.

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

NASA Astrophysics Data System (ADS)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Anderson localization to enhance light-matter interaction (Conference Presentation)

NASA Astrophysics Data System (ADS)

Garcia, Pedro David

2016-04-01

Deliberately introducing disorder in low-dimensional nanostructures like photonic crystal waveguides (PCWs) [1] or photonic crystals (PCs) [2] leads to Anderson localization where light is efficiently trapped by random multiple scattering with the lattice imperfections. These disorder-induced optical modes hace been demonstrated to be very promising for cavity-quantum electrodynamics (QED) experiments where the radiative emission rate of single quantum emitters can be controlled when tuned through resonance with one of these random cavities. Our statistical analysis of the emission dynamics from single quantum dots embeded in disordered PCWs [3] provides detailed insigth about the statistical properties of QED in these complex nanostructures. In addition, using internal light sources reveals new physics in the form of nonuniversal intensity correlations between the different scattered paths within the structure which imprint the local QED properties deep inside the complex structure onto the far-field intensity pattern [2]. Finally, increasing the optical gain in PCWs allows on-chip random nanolasing where the cavity feedback is provided by the intrinsic disorder which enables highly efficient, stable, and broadband tunable lasers with very small mode volumes [4]. The figure of merit of these disorder-induced cavities is their localization length which determines to a large degree the coupling efficiency of a quantum emitter to a disorder-induced cavity as well as the efficiency of random lasing and reveals a strongly dispersive behavior and a non-trivial dependence on disorder in PCWs [5]. [1] L. Sapienza, H. Thyrrestrup, S. Stobbe, P.D. Garcia, S. Smolka, and P. Lodahl, Science 327, 1352 (2010). [2] P. D. García, S. Stobbe, I. Soellner and P. Lodahl, Physical Review Letters 109, 253902 (2012). [3] A. Javadi, S. Maibom, L. Sapienza, H. Thyrrestrup, P.D. Garcia, and P. Lodahl, Opt. Express 22, 30992 (2014). [4] J. Liu, P. D. Garcia, S. Ek, N. Gregersen, T. Suhr, M. Schubert, J. Mørk, S. Stobbe, and P. Lodahl, Nature Nanotechnology, 9, 285 (2014). [5] P.D. Garcia, A. Javadi, and P. Lodahl, In preparation.

Quantum effects in energy and charge transfer in an artificial photosynthetic complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Pulak Kumar; Smirnov, Anatoly Yu.; Nori, Franco

2011-06-28

We investigate the quantum dynamics of energy and charge transfer in a wheel-shaped artificial photosynthetic antenna-reaction center complex. This complex consists of six light-harvesting chromophores and an electron-acceptor fullerene. To describe quantum effects on a femtosecond time scale, we derive the set of exact non-Markovian equations for the Heisenberg operators of this photosynthetic complex in contact with a Gaussian heat bath. With these equations we can analyze the regime of strong system-bath interactions, where reorganization energies are of the order of the intersite exciton couplings. We show that the energy of the initially excited antenna chromophores is efficiently funneled tomore » the porphyrin-fullerene reaction center, where a charge-separated state is set up in a few picoseconds, with a quantum yield of the order of 95%. In the single-exciton regime, with one antenna chromophore being initially excited, we observe quantum beatings of energy between two resonant antenna chromophores with a decoherence time of {approx}100 fs. We also analyze the double-exciton regime, when two porphyrin molecules involved in the reaction center are initially excited. In this regime we obtain pronounced quantum oscillations of the charge on the fullerene molecule with a decoherence time of about 20 fs (at liquid nitrogen temperatures). These results show a way to directly detect quantum effects in artificial photosynthetic systems.« less

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.

PubMed

Brieuc, Fabien; Bronstein, Yael; Dammak, Hichem; Depondt, Philippe; Finocchi, Fabio; Hayoun, Marc

2016-12-13

The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems. This is a well-known problem in methods based on classical trajectories where part of the energy of the high-frequency modes is transferred to the low-frequency modes leading to a wrong energy distribution. In some cases, the ZPEL can have dramatic consequences on the properties of the system. Thus, we investigate the ZPEL by testing the QTB method on selected systems with increasing complexity in order to study the conditions and the parameters that influence the leakage. We also analyze the consequences of the ZPEL on the structural and vibrational properties of the system. We find that the leakage is particularly dependent on the damping coefficient and that increasing its value can reduce and, in some cases, completely remove the ZPEL. When using sufficiently high values for the damping coefficient, the expected energy distribution among the vibrational modes is ensured. In this case, the QTB method gives very encouraging results. In particular, the structural properties are well-reproduced. The dynamical properties should be regarded with caution although valuable information can still be extracted from the vibrational spectrum, even for large values of the damping term.

Electrical efficiency and droop in MQW LEDs

NASA Astrophysics Data System (ADS)

Malyutenko, V. K.

2014-02-01

It is believed that low power conversion efficiency in commercial MQW LEDs occurs as a result of efficiency droop, current-induced dynamic degradation of the internal quantum efficiency, injection efficiency, and extraction efficiency. Broadly speaking, all these "quenching" mechanisms could be referred to as the optical losses. The vast advances of high-power InGaN and AlGaInP MQW LEDs have been achieved by addressing these losses. In contrast to these studies, in this paper we consider an alternative approach to make high-power LEDs more efficient. We identify current-induced electrical efficiency degradation (EED) as a strong limiting factor of power conversion efficiency. We found that EED is caused by current crowding followed by an increase in current-induced series resistance of a device. By decreasing the current spreading length, EED also causes the optical efficiency to degrade and stands for an important aspect of LED performance. This paper gives scientists the opportunity to look for different attributes of EED.

EDITORIAL: Focus on Quantum Dissipation in Unconventional Environments FOCUS ON QUANTUM DISSIPATION IN UNCONVENTIONAL ENVIRONMENTS

NASA Astrophysics Data System (ADS)

Grifoni, Milena; Paladino, Elisabetta

2008-11-01

Quantum dissipation has been the object of study within the physics and chemistry communities for many years. Despite this, the field is in constant evolution, largely due to the fact that novel systems where the understanding of dissipation and dephasing processes is of crucial importance have become experimentally accessible in recent years. Among the ongoing research themes, we mention the defeat of decoherence in solid state-based quantum bits (qubits) (e.g. superconducting qubits or quantum dot based qubits), or dissipation due to non-equilibrium Fermi reservoirs, as is the case for quantum transport through meso- and nanoscale structures. A close inspection of dissipation in such systems reveals that one has to deal with 'unconventional' environments, where common assumptions of, for example, linearity of the bath and/or equilibrium reservoir have to be abandoned. Even for linear baths at equilibrium it might occur that the bath presents some internal structure, due, for example, to the presence of localized bath modes. A large part of this focus issue is devoted to topics related to the rapidly developing fields of quantum computation and information with solid state nanodevices. In these implementations, single and two-qubit gates as well as quantum information transmission takes place in the presence of broadband noise that is typically non-Markovian and nonlinear. On both the experimental and theory side, understanding and defeating such noise sources has become a crucial step towards the implementation of efficient nanodevices. On a more fundamental level, electron and spin transport through quantum dot nanostructures may suffer from 'unconventional' dissipation mechanisms such as the simultaneous presence of spin relaxation and fermionic dissipation, or may represent themselves out of equilibrium baths for nearby mesoscopic systems. Finally, although not expected from the outset, the present collection of articles has revealed that different 'unconventional' questions were still open on the standard harmonic oscillator and spin baths. This includes both fundamental issues, such as the possibility of estimating the specific heat for a free particle in the presence of dissipation, and the development of methods suitable to dealing with long range correlations at zero temperature and with quantum chaotic environments. We believe that the present focus issue on Quantum Dissipation in Unconventional Environments, although certainly not exhaustive, provides an important open-access resource that presents the latest state of the art of research in this field along its different lines. Focus on Quantum Dissipation in Unconventional Environments Contents Dephasing by electron-electron interactions in a ballistic Mach-Zehnder interferometer Clemens Neuenhahn and Florian Marquardt Quantum frustration of dissipation by a spin bath D D Bhaktavatsala Rao, Heiner Kohler and Fernando Sols A random matrix theory of decoherence T Gorin, C Pineda, H Kohler and T H Seligman Dissipative dynamics of a biased qubit coupled to a harmonic oscillator: analytical results beyond the rotating wave approximation Johannes Hausinger and Milena Grifoni Dissipative dynamics of a two-level system resonantly coupled to a harmonic mode Frederico Brito and Amir O Caldeira Spin correlations in spin blockade Rafael Sánchez, Sigmund Kohler and Gloria Platero Landau-Zener tunnelling in dissipative circuit QED David Zueco, Peter Hänggi and Sigmund Kohler Quantum oscillations in the spin-boson model: reduced visibility from non-Markovian effects and initial entanglement F K Wilhelm Dynamics of dissipative coupled spins: decoherence, relaxation and effects of a spin-boson bath P Nägele, G Campagnano and U Weiss Spin chain model for correlated quantum channels Davide Rossini, Vittorio Giovannetti and Simone Montangero Finite quantum dissipation: the challenge of obtaining specific heat Peter Hänggi, Gert-Ludwig Ingold and Peter Talkner Dynamics of large anisotropic spin in a sub-ohmic dissipative environment close to a quantum-phase transition Frithjof B Anders Effects of low-frequency noise cross-correlations in coupled superconducting qubits A D'Arrigo, A Mastellone, E Paladino and G Falci From coherent motion to localization: dynamics of the spin-boson model at zero temperature Haobin Wang and Michael Thoss Phonon distributions of a single-bath mode coupled to a quantum dot F Cavaliere, G Piovano, E Paladino and M Sassetti

Non-Markovianity and reservoir memory of quantum channels: a quantum information theory perspective

PubMed Central

Bylicka, B.; Chruściński, D.; Maniscalco, S.

2014-01-01

Quantum technologies rely on the ability to coherently transfer information encoded in quantum states along quantum channels. Decoherence induced by the environment sets limits on the efficiency of any quantum-enhanced protocol. Generally, the longer a quantum channel is the worse its capacity is. We show that for non-Markovian quantum channels this is not always true: surprisingly the capacity of a longer channel can be greater than of a shorter one. We introduce a general theoretical framework linking non-Markovianity to the capacities of quantum channels and demonstrate how harnessing non-Markovianity may improve the efficiency of quantum information processing and communication. PMID:25043763

Photo-acoustic spectroscopy and quantum efficiency of Yb{sup 3+} doped alumino silicate glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuhn, Stefan, E-mail: stefan.kuhn84@googlemail.com; Tiegel, Mirko; Herrmann, Andreas

2015-09-14

In this contribution, we analyze the effect of several preparation methods of Yb{sup 3+} doped alumino silicate glasses on their quantum efficiency by using photo-acoustic measurements in comparison to standard measurement methods including the determination via the fluorescence lifetime and an integrating sphere setup. The preparation methods focused on decreasing the OH concentration by means of fluorine-substitution and/or applying dry melting atmospheres, which led to an increase in the measured fluorescence lifetime. However, it was found that the influence of these methods on radiative properties such as the measured fluorescence lifetime alone does not per se give exact information aboutmore » the actual quantum efficiency of the sample. The determination of the quantum efficiency by means of fluorescence lifetime shows inaccuracies when refractive index changing elements such as fluorine are incorporated into the glass. Since fluorine not only eliminates OH from the glass but also increases the “intrinsic” radiative fluorescence lifetime, which is needed to calculate the quantum efficiency, it is difficult to separate lifetime quenching from purely radiative effects. The approach used in this contribution offers a possibility to disentangle radiative from non-radiative properties which is not possible by using fluorescence lifetime measurements alone and allows an accurate determination of the quantum efficiency of a given sample. The comparative determination by an integrating sphere setup leads to the well-known problem of reabsorption which embodies itself in the measurement of too low quantum efficiencies, especially for samples with small quantum efficiencies.« less

Highly-efficient quantum memory for polarization qubits in a spatially-multiplexed cold atomic ensemble.

PubMed

Vernaz-Gris, Pierre; Huang, Kun; Cao, Mingtao; Sheremet, Alexandra S; Laurat, Julien

2018-01-25

Quantum memory for flying optical qubits is a key enabler for a wide range of applications in quantum information. A critical figure of merit is the overall storage and retrieval efficiency. So far, despite the recent achievements of efficient memories for light pulses, the storage of qubits has suffered from limited efficiency. Here we report on a quantum memory for polarization qubits that combines an average conditional fidelity above 99% and efficiency around 68%, thereby demonstrating a reversible qubit mapping where more information is retrieved than lost. The qubits are encoded with weak coherent states at the single-photon level and the memory is based on electromagnetically-induced transparency in an elongated laser-cooled ensemble of cesium atoms, spatially multiplexed for dual-rail storage. This implementation preserves high optical depth on both rails, without compromise between multiplexing and storage efficiency. Our work provides an efficient node for future tests of quantum network functionalities and advanced photonic circuits.

Coherent emission from integrated Talbot-cavity quantum cascade lasers.

PubMed

Meng, Bo; Qiang, Bo; Rodriguez, Etienne; Hu, Xiao Nan; Liang, Guozhen; Wang, Qi Jie

2017-02-20

We report experimental realization of phase-locked quantum cascade laser (QCL) array using a monolithically integrated Talbot cavity. An array with six laser elements at a wavelength of ~4.8 μm shows a maximum peak power of ~4 W which is more than 5 times higher than that of a single ridge laser element and a slope efficiency of 1 W/A at room temperature. Operation of in-phase coherent supermode has been achieved over the whole dynamic range of the Talbot-cavity QCL. The structure was analysed using a straightforward theoretical model, showing quantitatively good agreement with the experimental results. The reduced thermal resistance makes the structure an attractive approach to achieve high beam quality continuous wave QCLs.

Revisiting the Quantum Brain Hypothesis: Toward Quantum (Neuro)biology?

PubMed Central

Jedlicka, Peter

2017-01-01

The nervous system is a non-linear dynamical complex system with many feedback loops. A conventional wisdom is that in the brain the quantum fluctuations are self-averaging and thus functionally negligible. However, this intuition might be misleading in the case of non-linear complex systems. Because of an extreme sensitivity to initial conditions, in complex systems the microscopic fluctuations may be amplified and thereby affect the system’s behavior. In this way quantum dynamics might influence neuronal computations. Accumulating evidence in non-neuronal systems indicates that biological evolution is able to exploit quantum stochasticity. The recent rise of quantum biology as an emerging field at the border between quantum physics and the life sciences suggests that quantum events could play a non-trivial role also in neuronal cells. Direct experimental evidence for this is still missing but future research should address the possibility that quantum events contribute to an extremely high complexity, variability and computational power of neuronal dynamics. PMID:29163041

Revisiting the Quantum Brain Hypothesis: Toward Quantum (Neuro)biology?

PubMed

Jedlicka, Peter

2017-01-01

The nervous system is a non-linear dynamical complex system with many feedback loops. A conventional wisdom is that in the brain the quantum fluctuations are self-averaging and thus functionally negligible. However, this intuition might be misleading in the case of non-linear complex systems. Because of an extreme sensitivity to initial conditions, in complex systems the microscopic fluctuations may be amplified and thereby affect the system's behavior. In this way quantum dynamics might influence neuronal computations. Accumulating evidence in non-neuronal systems indicates that biological evolution is able to exploit quantum stochasticity. The recent rise of quantum biology as an emerging field at the border between quantum physics and the life sciences suggests that quantum events could play a non-trivial role also in neuronal cells. Direct experimental evidence for this is still missing but future research should address the possibility that quantum events contribute to an extremely high complexity, variability and computational power of neuronal dynamics.

Investigations of quantum pendulum dynamics in a spin-1 BEC

NASA Astrophysics Data System (ADS)

Hoang, Thai; Gerving, Corey; Land, Ben; Anquez, Martin; Hamley, Chris; Chapman, Michael

2013-05-01

We investigate the quantum spin dynamics of a spin-1 BEC initialized to an unstable critical point of the dynamical phase space. The subsequent evolution of the collective states of the system is analogous to an inverted simple pendulum in the quantum limit and yields non-classical states with quantum correlations. For short evolution times in the low depletion limit, we observe squeezed states and for longer times beyond the low depletion limit we observe highly non-Gaussian distributions. C.D. Hamley, C.S. Gerving, T.M. Hoang, E.M. Bookjans, and M.S. Chapman, ``Spin-Nematic Squeezed Vacuum in a Quantum Gas,'' Nature Physics 8, 305-308 (2012).

Improving the efficiency of quantum hash function by dense coding of coin operators in discrete-time quantum walk

NASA Astrophysics Data System (ADS)

Yang, YuGuang; Zhang, YuChen; Xu, Gang; Chen, XiuBo; Zhou, Yi-Hua; Shi, WeiMin

2018-03-01

Li et al. first proposed a quantum hash function (QHF) in a quantum-walk architecture. In their scheme, two two-particle interactions, i.e., I interaction and π-phase interaction are introduced and the choice of I or π-phase interactions at each iteration depends on a message bit. In this paper, we propose an efficient QHF by dense coding of coin operators in discrete-time quantum walk. Compared with existing QHFs, our protocol has the following advantages: the efficiency of the QHF can be doubled and even more; only one particle is enough and two-particle interactions are unnecessary so that quantum resources are saved. It is a clue to apply the dense coding technique to quantum cryptographic protocols, especially to the applications with restricted quantum resources.

Efficient quantum transmission in multiple-source networks.

PubMed

Luo, Ming-Xing; Xu, Gang; Chen, Xiu-Bo; Yang, Yi-Xian; Wang, Xiaojun

2014-04-02

A difficult problem in quantum network communications is how to efficiently transmit quantum information over large-scale networks with common channels. We propose a solution by developing a quantum encoding approach. Different quantum states are encoded into a coherent superposition state using quantum linear optics. The transmission congestion in the common channel may be avoided by transmitting the superposition state. For further decoding and continued transmission, special phase transformations are applied to incoming quantum states using phase shifters such that decoders can distinguish outgoing quantum states. These phase shifters may be precisely controlled using classical chaos synchronization via additional classical channels. Based on this design and the reduction of multiple-source network under the assumption of restricted maximum-flow, the optimal scheme is proposed for specially quantized multiple-source network. In comparison with previous schemes, our scheme can greatly increase the transmission efficiency.

Probing polariton dynamics in trapped ions with phase-coherent two-dimensional spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gessner, Manuel; Schlawin, Frank; Buchleitner, Andreas

2015-06-07

We devise a phase-coherent three-pulse protocol to probe the polariton dynamics in a trapped-ion quantum simulation. In contrast to conventional nonlinear signals, the presented scheme does not change the number of excitations in the system, allowing for the investigation of the dynamics within an N-excitation manifold. In the particular case of a filling factor one (N excitations in an N-ion chain), the proposed interaction induces coherent transitions between a delocalized phonon superfluid and a localized atomic insulator phase. Numerical simulations of a two-ion chain demonstrate that the resulting two-dimensional spectra allow for the unambiguous identification of the distinct phases, andmore » the two-dimensional line shapes efficiently characterize the relevant decoherence mechanism.« less

Fixed-topology Lorentzian triangulations: Quantum Regge Calculus in the Lorentzian domain

NASA Astrophysics Data System (ADS)

Tate, Kyle; Visser, Matt

2011-11-01

A key insight used in developing the theory of Causal Dynamical Triangu-lations (CDTs) is to use the causal (or light-cone) structure of Lorentzian manifolds to restrict the class of geometries appearing in the Quantum Gravity (QG) path integral. By exploiting this structure the models developed in CDTs differ from the analogous models developed in the Euclidean domain, models of (Euclidean) Dynamical Triangulations (DT), and the corresponding Lorentzian results are in many ways more "physical". In this paper we use this insight to formulate a Lorentzian signature model that is anal-ogous to the Quantum Regge Calculus (QRC) approach to Euclidean Quantum Gravity. We exploit another crucial fact about the structure of Lorentzian manifolds, namely that certain simplices are not constrained by the triangle inequalities present in Euclidean signa-ture. We show that this model is not related to QRC by a naive Wick rotation; this serves as another demonstration that the sum over Lorentzian geometries is not simply related to the sum over Euclidean geometries. By removing the triangle inequality constraints, there is more freedom to perform analytical calculations, and in addition numerical simulations are more computationally efficient. We first formulate the model in 1 + 1 dimensions, and derive scaling relations for the pure gravity path integral on the torus using two different measures. It appears relatively easy to generate "large" universes, both in spatial and temporal extent. In addition, loopto-loop amplitudes are discussed, and a transfer matrix is derived. We then also discuss the model in higher dimensions.

A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

PubMed

Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

2015-01-01

Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2. Copyright © 2015 Elsevier Inc. All rights reserved.

Intrinsic retrieval efficiency for quantum memories: A three-dimensional theory of light interaction with an atomic ensemble

NASA Astrophysics Data System (ADS)

Gujarati, Tanvi P.; Wu, Yukai; Duan, Luming

2018-03-01

Duan-Lukin-Cirac-Zoller quantum repeater protocol, which was proposed to realize long distance quantum communication, requires usage of quantum memories. Atomic ensembles interacting with optical beams based on off-resonant Raman scattering serve as convenient on-demand quantum memories. Here, a complete free space, three-dimensional theory of the associated read and write process for this quantum memory is worked out with the aim of understanding intrinsic retrieval efficiency. We develop a formalism to calculate the transverse mode structure for the signal and the idler photons and use the formalism to study the intrinsic retrieval efficiency under various configurations. The effects of atomic density fluctuations and atomic motion are incorporated by numerically simulating this system for a range of realistic experimental parameters. We obtain results that describe the variation in the intrinsic retrieval efficiency as a function of the memory storage time for skewed beam configuration at a finite temperature, which provides valuable information for optimization of the retrieval efficiency in experiments.

Terahertz Quantum Cascade Structures Using Step Wells And Longitudinal Optical-Phonon Scattering

DTIC Science & Technology

2009-06-01

emit many photons, which allows for differential quantum efficiencies greater than unity and hence higher power output. QCLs have been successfully...maintained. The step in the well allows for high injection efficiency due to the spatial separation of the wavefunctions. A step quantum well, in which at...III.D.34), the photon density is determined to be ( )thiphotonphoton IILeAn − Γ = ητ (III.D.35) where the internal quantum efficiency

Exploring the nonequilibrium dynamics of ultracold quantum gases by using numerical tools

NASA Astrophysics Data System (ADS)

Heidrich-Meisner, Fabian

Numerical tools such as exact diagonalization or the density matrix renormalization group method have been vital for the study of the nonequilibrium dynamics of strongly correlated many-body systems. Moreover, they provided unique insight for the interpretation of quantum gas experiments, whenever a direct comparison with theory is possible. By considering the example of the experiment by Ronzheimer et al., in which both an interaction quench and the release of bosons from a trap into an empty optical lattice (sudden expansion) was realized, I discuss several nonequilibrium effects of strongly interacting quantum gases. These include the thermalization of a closed quantum system and its connection to the eigenstate thermalization hypothesis, nonequilibrium mass transport, dynamical fermionization, and transient phenomena such as quantum distillation or dynamical quasicondensation. I highlight the role of integrability in giving rise to ballistic transport in strongly interacting 1D systems and in determining the asymptotic state after a quantum quench. The talk concludes with a perspective on open questions concerning 2D systems and the numerical simulation of their nonequilibrium dynamics. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 801.

An efficient direct solver for rarefied gas flows with arbitrary statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diaz, Manuel A., E-mail: f99543083@ntu.edu.tw; Yang, Jaw-Yen, E-mail: yangjy@iam.ntu.edu.tw; Center of Advanced Study in Theoretical Science, National Taiwan University, Taipei 10167, Taiwan

2016-01-15

A new numerical methodology associated with a unified treatment is presented to solve the Boltzmann–BGK equation of gas dynamics for the classical and quantum gases described by the Bose–Einstein and Fermi–Dirac statistics. Utilizing a class of globally-stiffly-accurate implicit–explicit Runge–Kutta scheme for the temporal evolution, associated with the discrete ordinate method for the quadratures in the momentum space and the weighted essentially non-oscillatory method for the spatial discretization, the proposed scheme is asymptotic-preserving and imposes no non-linear solver or requires the knowledge of fugacity and temperature to capture the flow structures in the hydrodynamic (Euler) limit. The proposed treatment overcomes themore » limitations found in the work by Yang and Muljadi (2011) [33] due to the non-linear nature of quantum relations, and can be applied in studying the dynamics of a gas with internal degrees of freedom with correct values of the ratio of specific heat for the flow regimes for all Knudsen numbers and energy wave lengths. The present methodology is numerically validated with the unified treatment by the one-dimensional shock tube problem and the two-dimensional Riemann problems for gases of arbitrary statistics. Descriptions of ideal quantum gases including rotational degrees of freedom have been successfully achieved under the proposed methodology.« less

Counterfactual quantum key distribution with high efficiency

NASA Astrophysics Data System (ADS)

Sun, Ying; Wen, Qiao-Yan

2010-11-01

In a counterfactual quantum key distribution scheme, a secret key can be generated merely by transmitting the split vacuum pulses of single particles. We improve the efficiency of the first quantum key distribution scheme based on the counterfactual phenomenon. This scheme not only achieves the same security level as the original one but also has higher efficiency. We also analyze how to achieve the optimal efficiency under various conditions.

Counterfactual quantum key distribution with high efficiency

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun Ying; Beijing Electronic Science and Technology Institute, Beijing 100070; Wen Qiaoyan

2010-11-15

In a counterfactual quantum key distribution scheme, a secret key can be generated merely by transmitting the split vacuum pulses of single particles. We improve the efficiency of the first quantum key distribution scheme based on the counterfactual phenomenon. This scheme not only achieves the same security level as the original one but also has higher efficiency. We also analyze how to achieve the optimal efficiency under various conditions.

Apparent bandgap shift in the internal quantum efficiency for solar cells with back reflectors

NASA Astrophysics Data System (ADS)

Steiner, M. A.; Perl, E. E.; Geisz, J. F.; Friedman, D. J.; Jain, N.; Levi, D.; Horner, G.

2017-04-01

We demonstrate that in solar cells with highly reflective back mirrors, the measured internal quantum efficiency exhibits a shift in bandgap relative to the measured external quantum efficiency. The shift arises from the fact that the measured reflectance at the front surface includes a superposition of waves reflecting from the front and back surfaces. We quantify the magnitude of the apparent shift and discuss the errors that can result in determination of quantities such as the photocurrent. Because of this apparent shift, it is important the bandgap be determined from the external quantum efficiency.

Apparent bandgap shift in the internal quantum efficiency for solar cells with back reflectors

DOE PAGES

Steiner, Myles A.; Perl, E. E.; Geisz, J. F.; ...

2017-04-28

Here, we demonstrate that in solar cells with highly reflective back mirrors, the measured internal quantum efficiency exhibits a shift in bandgap relative to the measured external quantum efficiency. The shift arises from the fact that the measured reflectance at the front surface includes a superposition of waves reflecting from the front and back surfaces. We quantify the magnitude of the apparent shift and discuss the errors that can result in determination of quantities such as the photocurrent. Because of this apparent shift, it is important that the bandgap be determined from the external quantum efficiency.

Recovery of Active and Efficient Photocatalytic H 2 Production for CdSe Quantum Dots

DOE PAGES

Burke, Rebeckah; Cogan, Nicole M. Briglio; Oi, Aidan; ...

2018-05-07

Recently, colloidal semiconductor quantum dots (QDs) have shown great promise as photocatalysts for the production of chemical fuels by sunlight. Here, the efficiency of photocatalytic hydrogen (H 2) production for integrated systems of large diameter (4.4 nm) CdSe QDs as light harvesting nanoparticles with varying concentrations of nickel-dihydrolipoic acid (Ni-DHLA) small molecule catalysts was measured. While exhibiting excellent robustness and longevity, the efficiency of H 2 production for equimolar catalyst and QDs was relatively poor. However, the efficiency was found to increase substantially with increasing Ni-DHLA:QD molar ratios Surprisingly, this high activity was only observed with the use of 3-mercaptopropionicmore » acid (MPA) ligands, while CdSe QDs capped with dihydrolipoic acid (DHLA) exhibited poor performance in comparison, indicating that the QD capping ligand has a substantial impact on the catalytic performance. Finally, ultrafast transient absorption spectroscopic measurements of the electron transfer (ET) dynamics show fast ET to the catalyst. Importantly, an increase in ET efficiency is observed as the catalyst concentration is increased. Together, these results suggest that for these large QDs, tailoring the QD surface environment for facile ET and increasing catalyst concentrations increases the probability of ET from QDs to Ni-DHLA, overcoming the relatively small driving force for ET and decreased surface electron density for large diameter QDs.« less

Recovery of Active and Efficient Photocatalytic H 2 Production for CdSe Quantum Dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burke, Rebeckah; Cogan, Nicole M. Briglio; Oi, Aidan

Recently, colloidal semiconductor quantum dots (QDs) have shown great promise as photocatalysts for the production of chemical fuels by sunlight. Here, the efficiency of photocatalytic hydrogen (H 2) production for integrated systems of large diameter (4.4 nm) CdSe QDs as light harvesting nanoparticles with varying concentrations of nickel-dihydrolipoic acid (Ni-DHLA) small molecule catalysts was measured. While exhibiting excellent robustness and longevity, the efficiency of H 2 production for equimolar catalyst and QDs was relatively poor. However, the efficiency was found to increase substantially with increasing Ni-DHLA:QD molar ratios Surprisingly, this high activity was only observed with the use of 3-mercaptopropionicmore » acid (MPA) ligands, while CdSe QDs capped with dihydrolipoic acid (DHLA) exhibited poor performance in comparison, indicating that the QD capping ligand has a substantial impact on the catalytic performance. Finally, ultrafast transient absorption spectroscopic measurements of the electron transfer (ET) dynamics show fast ET to the catalyst. Importantly, an increase in ET efficiency is observed as the catalyst concentration is increased. Together, these results suggest that for these large QDs, tailoring the QD surface environment for facile ET and increasing catalyst concentrations increases the probability of ET from QDs to Ni-DHLA, overcoming the relatively small driving force for ET and decreased surface electron density for large diameter QDs.« less

Quantum critical dynamics for a prototype class of insulating antiferromagnets

NASA Astrophysics Data System (ADS)

Wu, Jianda; Yang, Wang; Wu, Congjun; Si, Qimiao

2018-06-01

Quantum criticality is a fundamental organizing principle for studying strongly correlated systems. Nevertheless, understanding quantum critical dynamics at nonzero temperatures is a major challenge of condensed-matter physics due to the intricate interplay between quantum and thermal fluctuations. The recent experiments with the quantum spin dimer material TlCuCl3 provide an unprecedented opportunity to test the theories of quantum criticality. We investigate the nonzero-temperature quantum critical spin dynamics by employing an effective O (N ) field theory. The on-shell mass and the damping rate of quantum critical spin excitations as functions of temperature are calculated based on the renormalized coupling strength and are in excellent agreement with experiment observations. Their T lnT dependence is predicted to be dominant at very low temperatures, which will be tested in future experiments. Our work provides confidence that quantum criticality as a theoretical framework, which is being considered in so many different contexts of condensed-matter physics and beyond, is indeed grounded in materials and experiments accurately. It is also expected to motivate further experimental investigations on the applicability of the field theory to related quantum critical systems.

WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

NASA Astrophysics Data System (ADS)

Schmidt, Burkhard; Lorenz, Ulf

2017-04-01

WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schrödinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry. The present Part I deals with the description of closed quantum systems in terms of Schrödinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization. The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics. The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.

Roughness as classicality indicator of a quantum state

NASA Astrophysics Data System (ADS)

Lemos, Humberto C. F.; Almeida, Alexandre C. L.; Amaral, Barbara; Oliveira, Adélcio C.

2018-03-01

We define a new quantifier of classicality for a quantum state, the Roughness, which is given by the L2 (R2) distance between Wigner and Husimi functions. We show that the Roughness is bounded and therefore it is a useful tool for comparison between different quantum states for single bosonic systems. The state classification via the Roughness is not binary, but rather it is continuous in the interval [ 0 , 1 ], being the state more classic as the Roughness approaches to zero, and more quantum when it is closer to the unity. The Roughness is maximum for Fock states when its number of photons is arbitrarily large, and also for squeezed states at the maximum compression limit. On the other hand, the Roughness approaches its minimum value for thermal states at infinite temperature and, more generally, for infinite entropy states. The Roughness of a coherent state is slightly below one half, so we may say that it is more a classical state than a quantum one. Another important result is that the Roughness performs well for discriminating both pure and mixed states. Since the Roughness measures the inherent quantumness of a state, we propose another function, the Dynamic Distance Measure (DDM), which is suitable for measure how much quantum is a dynamics. Using DDM, we studied the quartic oscillator, and we observed that there is a certain complementarity between dynamics and state, i.e. when dynamics becomes more quantum, the Roughness of the state decreases, while the Roughness grows as the dynamics becomes less quantum.

Non-equilibrium quantum phase transition via entanglement decoherence dynamics.

PubMed

Lin, Yu-Chen; Yang, Pei-Yun; Zhang, Wei-Min

2016-10-07

We investigate the decoherence dynamics of continuous variable entanglement as the system-environment coupling strength varies from the weak-coupling to the strong-coupling regimes. Due to the existence of localized modes in the strong-coupling regime, the system cannot approach equilibrium with its environment, which induces a nonequilibrium quantum phase transition. We analytically solve the entanglement decoherence dynamics for an arbitrary spectral density. The nonequilibrium quantum phase transition is demonstrated as the system-environment coupling strength varies for all the Ohmic-type spectral densities. The 3-D entanglement quantum phase diagram is obtained.

Ultrafast single photon emitting quantum photonic structures based on a nano-obelisk.

PubMed

Kim, Je-Hyung; Ko, Young-Ho; Gong, Su-Hyun; Ko, Suk-Min; Cho, Yong-Hoon

2013-01-01

A key issue in a single photon source is fast and efficient generation of a single photon flux with high light extraction efficiency. Significant progress toward high-efficiency single photon sources has been demonstrated by semiconductor quantum dots, especially using narrow bandgap materials. Meanwhile, there are many obstacles, which restrict the use of wide bandgap semiconductor quantum dots as practical single photon sources in ultraviolet-visible region, despite offering free space communication and miniaturized quantum information circuits. Here we demonstrate a single InGaN quantum dot embedded in an obelisk-shaped GaN nanostructure. The nano-obelisk plays an important role in eliminating dislocations, increasing light extraction, and minimizing a built-in electric field. Based on the nano-obelisks, we observed nonconventional narrow quantum dot emission and positive biexciton binding energy, which are signatures of negligible built-in field in single InGaN quantum dots. This results in efficient and ultrafast single photon generation in the violet color region.

Adjustable Spin-Spin Interaction with 171Yb+ ions and Addressing of a Quantum Byte

NASA Astrophysics Data System (ADS)

Wunderlich, Christof

2015-05-01

Trapped atomic ions are a well-advanced physical system for investigating fundamental questions of quantum physics and for quantum information science and its applications. When contemplating the scalability of trapped ions for quantum information science one notes that the use of laser light for coherent operations gives rise to technical and also physical issues that can be remedied by replacing laser light by microwave (MW) and radio-frequency (RF) radiation employing suitably modified ion traps. Magnetic gradient induced coupling (MAGIC) makes it possible to coherently manipulate trapped ions using exclusively MW and RF radiation. After introducing the general concept of MAGIC, I shall report on recent experimental progress using 171Yb+ ions, confined in a suitable Paul trap, as effective spin-1/2 systems interacting via MAGIC. Entangling gates between non-neighbouring ions will be presented. The spin-spin coupling strength is variable and can be adjusted by variation of the secular trap frequency. In general, executing a quantum gate with a single qubit, or a subset of qubits, affects the quantum states of all other qubits. This reduced fidelity of the whole quantum register may preclude scalability. We demonstrate addressing of individual qubits within a quantum byte (eight qubits interacting via MAGIC) using MW radiation and measure the error induced in all non-addressed qubits (cross-talk) associated with the application of single-qubit gates. The measured cross-talk is on the order 10-5 and therefore below the threshold commonly agreed sufficient to efficiently realize fault-tolerant quantum computing. Furthermore, experimental results on continuous and pulsed dynamical decoupling (DD) for protecting quantum memories and quantum gates against decoherence will be briefly discussed. Finally, I report on using continuous DD to realize a broadband ultrasensitive single-atom magnetometer.

Generation of heralded entanglement between distant quantum dot hole spins

NASA Astrophysics Data System (ADS)

Delteil, Aymeric

Entanglement plays a central role in fundamental tests of quantum mechanics as well as in the burgeoning field of quantum information processing. Particularly in the context of quantum networks and communication, some of the major challenges are the efficient generation of entanglement between stationary (spin) and propagating (photon) qubits, the transfer of information from flying to stationary qubits, and the efficient generation of entanglement between distant stationary (spin) qubits. In this talk, I will present such experimental implementations achieved in our team with semiconductor self-assembled quantum dots.Not only are self-assembled quantum dots good single-photon emitters, but they can host an electron or a hole whose spin serves as a quantum memory, and then present spin-dependent optical selection rules leading to an efficient spin-photon quantum interface. Moreover InGaAs quantum dots grown on GaAs substrate can profit from the maturity of III-V semiconductor technology and can be embedded in semiconductor structures like photonic cavities and Schottky diodes.I will report on the realization of heralded quantum entanglement between two semiconductor quantum dot hole spins separated by more than five meters. The entanglement generation scheme relies on single photon interference of Raman scattered light from both dots. A single photon detection projects the system into a maximally entangled state. We developed a delayed two-photon interference scheme that allows for efficient verification of quantum correlations. Moreover the efficient spin-photon interface provided by self-assembled quantum dots allows us to reach an unprecedented rate of 2300 entangled spin pairs per second, which represents an improvement of four orders of magnitude as compared to prior experiments carried out in other systems.Our results extend previous demonstrations in single trapped ions or neutral atoms, in atom ensembles and nitrogen vacancy centers to the domain of artificial atoms in semiconductor nanostructures that allow for on-chip integration of electronic and photonic elements. This work lays the groundwork for the realization of quantum repeaters and quantum networks on a chip.

Time Reparametrization Group and the Long Time Behavior in Quantum Glassy Systems

NASA Astrophysics Data System (ADS)

Kennett, Malcolm P.; Chamon, Claudio

2001-02-01

We study the long time dynamics of a quantum version of the Sherrington-Kirkpatrick model. Time reparametrizations of the dynamical equations have a parallel with renormalization group transformations; in this language the long time behavior of this model is controlled by a reparametrization group ( RpG) fixed point of the classical dynamics. The irrelevance of quantum terms in the dynamical equations in the aging regime explains the classical nature of the out of equilibrium fluctuation-dissipation relation.

Ratchet effect in the quantum kicked rotor and its destruction by dynamical localization

NASA Astrophysics Data System (ADS)

Hainaut, Clément; Rançon, Adam; Clément, Jean-François; Garreau, Jean Claude; Szriftgiser, Pascal; Chicireanu, Radu; Delande, Dominique

2018-06-01

We study experimentally a quantum kicked rotor with broken parity symmetry, supporting a ratchet effect due to the presence of a classical accelerator mode. We show that the short-time dynamics is very well described by the classical dynamics, characterized by a strongly asymmetric momentum distribution with directed motion on one side, and an anomalous diffusion on the other. At longer times, quantum effects lead to dynamical localization, causing an asymptotic resymmetrization of the wave function.

Dynamical singularities of glassy systems in a quantum quench.

PubMed

Obuchi, Tomoyuki; Takahashi, Kazutaka

2012-11-01

We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a freezing transition at some critical time. The behavior is understood by the partition-function zeros in the complex temperature plane. We discuss the properties of the freezing phase as a dynamical chaotic phase, which are contrasted to those of the spin-glass phase in the static system.

Including Memory Friction in Single- and Two-State Quantum Dynamics Simulations.

PubMed

Brown, Paul A; Messina, Michael

2016-03-03

We present a simple computational algorithm that allows for the inclusion of memory friction in a quantum dynamics simulation of a small, quantum, primary system coupled to many atoms in the surroundings. We show how including a memory friction operator, F̂, in the primary quantum system's Hamiltonian operator builds memory friction into the dynamics of the primary quantum system. We show that, in the harmonic, semi-classical limit, this friction operator causes the classical phase-space centers of a wavepacket to evolve exactly as if it were a classical particle experiencing memory friction. We also show that this friction operator can be used to include memory friction in the quantum dynamics of an anharmonic primary system. We then generalize the algorithm so that it can be used to treat a primary quantum system that is evolving, non-adiabatically on two coupled potential energy surfaces, i.e., a model that can be used to model H atom transfer, for example. We demonstrate this approach's computational ease and flexibility by showing numerical results for both harmonic and anharmonic primary quantum systems in the single surface case. Finally, we present numerical results for a model of non-adiabatic H atom transfer between a reactant and product state that includes memory friction on one or both of the non-adiabatic potential energy surfaces and uncover some interesting dynamical effects of non-memory friction on the H atom transfer process.

On the importance of an accurate representation of the initial state of the system in classical dynamics simulations

NASA Astrophysics Data System (ADS)

García-Vela, A.

2000-05-01

A definition of a quantum-type phase-space distribution is proposed in order to represent the initial state of the system in a classical dynamics simulation. The central idea is to define an initial quantum phase-space state of the system as the direct product of the coordinate and momentum representations of the quantum initial state. The phase-space distribution is then obtained as the square modulus of this phase-space state. The resulting phase-space distribution closely resembles the quantum nature of the system initial state. The initial conditions are sampled with the distribution, using a grid technique in phase space. With this type of sampling the distribution of initial conditions reproduces more faithfully the shape of the original phase-space distribution. The method is applied to generate initial conditions describing the three-dimensional state of the Ar-HCl cluster prepared by ultraviolet excitation. The photodissociation dynamics is simulated by classical trajectories, and the results are compared with those of a wave packet calculation. The classical and quantum descriptions are found in good agreement for those dynamical events less subject to quantum effects. The classical result fails to reproduce the quantum mechanical one for the more strongly quantum features of the dynamics. The properties and applicability of the phase-space distribution and the sampling technique proposed are discussed.

Nanoscale Interfaces in Colloidal Quantum Dot Solar Cells: Physical Insights and Materials Engineering Strategies

NASA Astrophysics Data System (ADS)

Kemp, Kyle Wayne

With growing global energy demand there will be an increased need for sources of renewable energy such as solar cells. To make these photovoltaic technologies more competitive with conventional energy sources such as coal and natural gas requires further reduction in manufacturing costs that can be realized by solution processing and roll-to-roll printing. Colloidal quantum dots are a bandgap tunable, solution processible, semiconductor material which may offer a path forward to efficient, inexpensive photovoltaics. Despite impressive progress in performance with these materials, there remain limitations in photocarrier collection that must be overcome. This dissertation focuses on the characterization of charge recombination and transport in colloidal quantum dot photovoltaics, and the application of this knowledge to the development of new and better materials. Core-shell, PbS-CdS, quantum dots were investigated in an attempt to achieve better surface passivation and reduce electronic defects which can limit performance. Optimization of this material led to improved open circuit voltage, exceeding 0.6 V for the first time, and record published performance of 6% efficiency. Using temperature-dependent and transient photovoltage measurements we explored the significance of interface recombination on the operation of these devices. Careful engineering of the electrode using atomic layer deposition of ZnO helped lead to better TiO2 substrate materials and allowed us to realize a nearly two-fold reduction in recombination rate and an enhancement upwards of 50 mV in open circuit voltage. Carrier extraction efficiency was studied in these devices using intensity dependent current-voltage data of an operational solar cell. By developing an analytical model to describe recombination loss within the active layer of the device we were able to accurately determine transport lengths ranging up to 90 nm. Transient absorption and photoconductivity techniques were used to study charge dynamics by identifying states in these quantum dot materials which facilitate carrier transport. Thermal activation energies for transport of 60 meV or lower were measured for different PbS quantum dot bandgaps, representing a relatively small barrier for carrier transport. From these measurements a dark, quantum confined energy level was attributed to the electronic bandedge of these materials which serves to govern their optoelectronic behavior.

Wide-Band, High-Quantum-Efficiency Photodetector

NASA Technical Reports Server (NTRS)

Jackson, Deborah; Wilson, Daniel; Stern, Jeffrey

2007-01-01

A design has been proposed for a photodetector that would exhibit a high quantum efficiency (as much as 90 percent) over a wide wavelength band, which would typically be centered at a wavelength of 1.55 m. This and similar photodetectors would afford a capability for detecting single photons - a capability that is needed for research in quantum optics as well as for the practical development of secure optical communication systems for distribution of quantum cryptographic keys. The proposed photodetector would be of the hot-electron, phonon-cooled, thin-film superconductor type. The superconducting film in this device would be a meandering strip of niobium nitride. In the proposed photodetector, the quantum efficiency would be increased through incorporation of optiA design has been proposed for a photodetector that would exhibit a high quantum efficiency (as much as 90 percent) over a wide wavelength band, which would typically be centered at a wavelength of 1.55 m. This and similar photodetectors would afford a capability for detecting single photons - a capability that is needed for research in quantum optics as well as for the practical development of secure optical communication systems for distribution of quantum cryptographic keys. The proposed photodetector would be of the hot-electron, phonon-cooled, thin-film superconductor type. The superconducting film in this device would be a meandering strip of niobium nitride. In the proposed photodetector, the quantum efficiency would be increased through incorporation of opti-

Open-system dynamics of entanglement:a key issues review

NASA Astrophysics Data System (ADS)

Aolita, Leandro; de Melo, Fernando; Davidovich, Luiz

2015-04-01

One of the greatest challenges in the fields of quantum information processing and quantum technologies is the detailed coherent control over each and every constituent of quantum systems with an ever increasing number of particles. Within this endeavor, harnessing of many-body entanglement against the detrimental effects of the environment is a major pressing issue. Besides being an important concept from a fundamental standpoint, entanglement has been recognized as a crucial resource for quantum speed-ups or performance enhancements over classical methods. Understanding and controlling many-body entanglement in open systems may have strong implications in quantum computing, quantum simulations of many-body systems, secure quantum communication or cryptography, quantum metrology, our understanding of the quantum-to-classical transition, and other important questions of quantum foundations. In this paper we present an overview of recent theoretical and experimental efforts to underpin the dynamics of entanglement under the influence of noise. Entanglement is thus taken as a dynamic quantity on its own, and we survey how it evolves due to the unavoidable interaction of the entangled system with its surroundings. We analyze several scenarios, corresponding to different families of states and environments, which render a very rich diversity of dynamical behaviors. In contrast to single-particle quantities, like populations and coherences, which typically vanish only asymptotically in time, entanglement may disappear at a finite time. In addition, important classes of entanglement display an exponential decay with the number of particles when subject to local noise, which poses yet another threat to the already-challenging scaling of quantum technologies. Other classes, however, turn out to be extremely robust against local noise. Theoretical results and recent experiments regarding the difference between local and global decoherence are summarized. Control and robustness-enhancement techniques, scaling laws, statistical and geometrical aspects of multipartite-entanglement decay are also reviewed; all in order to give a broad picture of entanglement dynamics in open quantum systems addressed to both theorists and experimentalists inside and outside the field of quantum information.

Open-system dynamics of entanglement: a key issues review.

PubMed

Aolita, Leandro; de Melo, Fernando; Davidovich, Luiz

2015-04-01

One of the greatest challenges in the fields of quantum information processing and quantum technologies is the detailed coherent control over each and every constituent of quantum systems with an ever increasing number of particles. Within this endeavor, harnessing of many-body entanglement against the detrimental effects of the environment is a major pressing issue. Besides being an important concept from a fundamental standpoint, entanglement has been recognized as a crucial resource for quantum speed-ups or performance enhancements over classical methods. Understanding and controlling many-body entanglement in open systems may have strong implications in quantum computing, quantum simulations of many-body systems, secure quantum communication or cryptography, quantum metrology, our understanding of the quantum-to-classical transition, and other important questions of quantum foundations.In this paper we present an overview of recent theoretical and experimental efforts to underpin the dynamics of entanglement under the influence of noise. Entanglement is thus taken as a dynamic quantity on its own, and we survey how it evolves due to the unavoidable interaction of the entangled system with its surroundings. We analyze several scenarios, corresponding to different families of states and environments, which render a very rich diversity of dynamical behaviors.In contrast to single-particle quantities, like populations and coherences, which typically vanish only asymptotically in time, entanglement may disappear at a finite time. In addition, important classes of entanglement display an exponential decay with the number of particles when subject to local noise, which poses yet another threat to the already-challenging scaling of quantum technologies. Other classes, however, turn out to be extremely robust against local noise. Theoretical results and recent experiments regarding the difference between local and global decoherence are summarized. Control and robustness-enhancement techniques, scaling laws, statistical and geometrical aspects of multipartite-entanglement decay are also reviewed; all in order to give a broad picture of entanglement dynamics in open quantum systems addressed to both theorists and experimentalists inside and outside the field of quantum information.

Time-Resolved Photoluminescence Spectroscopy Of The Carrier Dynamics In GaAs/AlxGa1-xAs Quantum Wells

NASA Astrophysics Data System (ADS)

Polland, Hans J.; Kuhl, Jurgen; Gobel, Ernst O.

1988-08-01

Picosecond photoluminescence experiments at low temperature (6K) have been employed to study the trapping dynamics of photoexcited carriers in GaAs/AlGaAs single quantum wells for different shapes of the AlxGai_xAs confinement layers. We have obtained the following results by analyzing the spectral and temporal distribution of the photoluminescence after picosecond pulse excitation: Trapping efficiency is ==, 40% for a standard ungraded cladding layer (A10.3G1.7As with constant band gap and 5nm thick wells) but increases to ,-, 60% and 100% for samp es with a spatially parabolic or linear band gap profile of the confinement layers, respectively. Trapping times are appreciably shorter than the luminescence risetime which is between 60ps to 100ps. Thus carrier trapping does not impose severe limitations on the modulation speed of single quantum well devices up to frequencies in the order of 10GHz. Similar results are obtained for a well with a width of 1.2nm. Inhomogeneities in the carrier trapping mechanism due to well width fluctuations are not observed in our samples. In the second part we describe the photoluminescence properties of GaAs/A1,Gai_x As quantum wells (x=0.3) under the influence of electric fields perpendicular to the layers. We observe a drastic red shift and a concomitant strong increase of the electron-hole recombination lifetime for well widths > lOnm due to the quantum-confined Stark effect. At high fields (50-100kV/cm) field ionization due to tunneling leads to a decrease of both the photoluminescence yield and decay time, in accordance with a simple WKB theory

Effects of dynamical paths on the energy gap and the corrections to the free energy in path integrals of mean-field quantum spin systems

NASA Astrophysics Data System (ADS)

Koh, Yang Wei

2018-03-01

In current studies of mean-field quantum spin systems, much attention is placed on the calculation of the ground-state energy and the excitation gap, especially the latter, which plays an important role in quantum annealing. In pure systems, the finite gap can be obtained by various existing methods such as the Holstein-Primakoff transform, while the tunneling splitting at first-order phase transitions has also been studied in detail using instantons in many previous works. In disordered systems, however, it remains challenging to compute the gap of large-size systems with specific realization of disorder. Hitherto, only quantum Monte Carlo techniques are practical for such studies. Recently, Knysh [Nature Comm. 7, 12370 (2016), 10.1038/ncomms12370] proposed a method where the exponentially large dimensionality of such systems is condensed onto a random potential of much lower dimension, enabling efficient study of such systems. Here we propose a slightly different approach, building upon the method of static approximation of the partition function widely used for analyzing mean-field models. Quantum effects giving rise to the excitation gap and nonextensive corrections to the free energy are accounted for by incorporating dynamical paths into the path integral. The time-dependence of the trace of the time-ordered exponential of the effective Hamiltonian is calculated by solving a differential equation perturbatively, yielding a finite-size series expansion of the path integral. Formulae for the first excited-state energy are proposed to aid in computing the gap. We illustrate our approach using the infinite-range ferromagnetic Ising model and the Hopfield model, both in the presence of a transverse field.

Quantum transport in the FMO photosynthetic light-harvesting complex.

PubMed

Karafyllidis, Ioannis G

2017-06-01

The very high light-harvesting efficiency of natural photosynthetic systems in conjunction with recent experiments, which showed quantum-coherent energy transfer in photosynthetic complexes, raised questions regarding the presence of non-trivial quantum effects in photosynthesis. Grover quantum search, quantum walks, and entanglement have been investigated as possible effects that lead to this efficiency. Here we explain the near-unit photosynthetic efficiency without invoking non-trivial quantum effects. Instead, we use non-equilibrium Green's functions, a mesoscopic method used to study transport in nano-conductors to compute the transmission function of the Fenna-Matthews-Olson (FMO) complex using an experimentally derived exciton Hamiltonian. The chlorosome antenna and the reaction center play the role of input and output contacts, connected to the FMO complex. We show that there are two channels for which the transmission is almost unity. Our analysis also revealed a dephasing-driven regulation mechanism that maintains the efficiency in the presence of varying dephasing potentials.

A Biomimetic-Computational Approach to Optimizing the Quantum Efficiency of Photovoltaics

NASA Astrophysics Data System (ADS)

Perez, Lisa M.; Holzenburg, Andreas

The most advanced low-cost organic photovoltaic cells have a quantum efficiency of 10%. This is in stark contrast to plant/bacterial light-harvesting systems which offer quantum efficiencies close to unity. Of particular interest is the highly effective quantum coherence-enabled energy transfer (Fig. 1). Noting that quantum coherence is promoted by charged residues and local dielectrics, classical atomistic simulations and time-dependent density functional theory (DFT) are used to identify charge/dielectric patterns and electronic coupling at exactly defined energy transfer interfaces. The calculations make use of structural information obtained on photosynthetic protein-pigment complexes while still in the native membrane making it possible to establish a link between supramolecular organization and quantum coherence in terms of what length scales enable fast energy transport and prevent quenching. Calculating energy transfer efficiencies between components based on different proximities will permit the search for patterns that enable defining material properties suitable for advanced photovoltaics.