78 FR 64968 - Center for Scientific Review; Amended Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-30

... DEPARTMENT OF HEALTH AND HUMAN SERVICES National Institutes of Health Center for Scientific Review; Amended Notice of Meeting Notice is hereby given of a change in the meeting of the Genomics, Computational Biology and Technology Study Section, October 16, 2013, 8:30 a.m. to October 17, 2013, 1:00 p.m., Avenue...

Neuromorphic Computing, Architectures, Models, and Applications. A Beyond-CMOS Approach to Future Computing, June 29-July 1, 2016, Oak Ridge, TN

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

Potok, Thomas; Schuman, Catherine; Patton, Robert

The White House and Department of Energy have been instrumental in driving the development of a neuromorphic computing program to help the United States continue its lead in basic research into (1) Beyond Exascale—high performance computing beyond Moore’s Law and von Neumann architectures, (2) Scientific Discovery—new paradigms for understanding increasingly large and complex scientific data, and (3) Emerging Architectures—assessing the potential of neuromorphic and quantum architectures. Neuromorphic computing spans a broad range of scientific disciplines from materials science to devices, to computer science, to neuroscience, all of which are required to solve the neuromorphic computing grand challenge. In our workshopmore » we focus on the computer science aspects, specifically from a neuromorphic device through an application. Neuromorphic devices present a very different paradigm to the computer science community from traditional von Neumann architectures, which raises six major questions about building a neuromorphic application from the device level. We used these fundamental questions to organize the workshop program and to direct the workshop panels and discussions. From the white papers, presentations, panels, and discussions, there emerged several recommendations on how to proceed.« less

Computing Cluster for Large Scale Turbulence Simulations and Applications in Computational Aeroacoustics

NASA Astrophysics Data System (ADS)

Lele, Sanjiva K.

2002-08-01

Funds were received in April 2001 under the Department of Defense DURIP program for construction of a 48 processor high performance computing cluster. This report details the hardware which was purchased and how it has been used to enable and enhance research activities directly supported by, and of interest to, the Air Force Office of Scientific Research and the Department of Defense. The report is divided into two major sections. The first section after this summary describes the computer cluster, its setup, and some cluster performance benchmark results. The second section explains ongoing research efforts which have benefited from the cluster hardware, and presents highlights of those efforts since installation of the cluster.

DOE Advanced Scientific Computing Advisory Subcommittee (ASCAC) Report: Top Ten Exascale Research Challenges

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

Lucas, Robert; Ang, James; Bergman, Keren

2014-02-10

Exascale computing systems are essential for the scientific fields that will transform the 21st century global economy, including energy, biotechnology, nanotechnology, and materials science. Progress in these fields is predicated on the ability to perform advanced scientific and engineering simulations, and analyze the deluge of data. On July 29, 2013, ASCAC was charged by Patricia Dehmer, the Acting Director of the Office of Science, to assemble a subcommittee to provide advice on exascale computing. This subcommittee was directed to return a list of no more than ten technical approaches (hardware and software) that will enable the development of a systemmore » that achieves the Department's goals for exascale computing. Numerous reports over the past few years have documented the technical challenges and the non¬-viability of simply scaling existing computer designs to reach exascale. The technical challenges revolve around energy consumption, memory performance, resilience, extreme concurrency, and big data. Drawing from these reports and more recent experience, this ASCAC subcommittee has identified the top ten computing technology advancements that are critical to making a capable, economically viable, exascale system.« less

ISCR Annual Report: Fical Year 2004

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

McGraw, J R

2005-03-03

Large-scale scientific computation and all of the disciplines that support and help to validate it have been placed at the focus of Lawrence Livermore National Laboratory (LLNL) by the Advanced Simulation and Computing (ASC) program of the National Nuclear Security Administration (NNSA) and the Scientific Discovery through Advanced Computing (SciDAC) initiative of the Office of Science of the Department of Energy (DOE). The maturation of computational simulation as a tool of scientific and engineering research is underscored in the November 2004 statement of the Secretary of Energy that, ''high performance computing is the backbone of the nation's science and technologymore » enterprise''. LLNL operates several of the world's most powerful computers--including today's single most powerful--and has undertaken some of the largest and most compute-intensive simulations ever performed. Ultrascale simulation has been identified as one of the highest priorities in DOE's facilities planning for the next two decades. However, computers at architectural extremes are notoriously difficult to use efficiently. Furthermore, each successful terascale simulation only points out the need for much better ways of interacting with the resulting avalanche of data. Advances in scientific computing research have, therefore, never been more vital to LLNL's core missions than at present. Computational science is evolving so rapidly along every one of its research fronts that to remain on the leading edge, LLNL must engage researchers at many academic centers of excellence. In Fiscal Year 2004, the Institute for Scientific Computing Research (ISCR) served as one of LLNL's main bridges to the academic community with a program of collaborative subcontracts, visiting faculty, student internships, workshops, and an active seminar series. The ISCR identifies researchers from the academic community for computer science and computational science collaborations with LLNL and hosts them for short- and long-term visits with the aim of encouraging long-term academic research agendas that address LLNL's research priorities. Through such collaborations, ideas and software flow in both directions, and LLNL cultivates its future workforce. The Institute strives to be LLNL's ''eyes and ears'' in the computer and information sciences, keeping the Laboratory aware of and connected to important external advances. It also attempts to be the ''feet and hands'' that carry those advances into the Laboratory and incorporates them into practice. ISCR research participants are integrated into LLNL's Computing and Applied Research (CAR) Department, especially into its Center for Applied Scientific Computing (CASC). In turn, these organizations address computational challenges arising throughout the rest of the Laboratory. Administratively, the ISCR flourishes under LLNL's University Relations Program (URP). Together with the other five institutes of the URP, it navigates a course that allows LLNL to benefit from academic exchanges while preserving national security. While it is difficult to operate an academic-like research enterprise within the context of a national security laboratory, the results declare the challenges well met and worth the continued effort.« less

Activities at the Lunar and Planetary Institute

NASA Technical Reports Server (NTRS)

1985-01-01

The activities of the Lunar and Planetary Institute for the period July to December 1984 are discussed. Functions of its departments and projects are summarized. These include: planetary image center; library information center; computer center; production services; scientific staff; visitors program; scientific projects; conferences; workshops; seminars; publications and communications; panels, teams, committees and working groups; NASA-AMES vertical gun range (AVGR); and lunar and planetary science council.

Big Data: Next-Generation Machines for Big Science

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

Hack, James J.; Papka, Michael E.

Addressing the scientific grand challenges identified by the US Department of Energy’s (DOE’s) Office of Science’s programs alone demands a total leadership-class computing capability of 150 to 400 Pflops by the end of this decade. The successors to three of the DOE’s most powerful leadership-class machines are set to arrive in 2017 and 2018—the products of the Collaboration Oak Ridge Argonne Livermore (CORAL) initiative, a national laboratory–industry design/build approach to engineering nextgeneration petascale computers for grand challenge science. These mission-critical machines will enable discoveries in key scientific fields such as energy, biotechnology, nanotechnology, materials science, and high-performance computing, and servemore » as a milestone on the path to deploying exascale computing capabilities.« less

The Magellan Final Report on Cloud Computing

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

,; Coghlan, Susan; Yelick, Katherine

The goal of Magellan, a project funded through the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR), was to investigate the potential role of cloud computing in addressing the computing needs for the DOE Office of Science (SC), particularly related to serving the needs of mid- range computing and future data-intensive computing workloads. A set of research questions was formed to probe various aspects of cloud computing from performance, usability, and cost. To address these questions, a distributed testbed infrastructure was deployed at the Argonne Leadership Computing Facility (ALCF) and the National Energy Research Scientific Computingmore » Center (NERSC). The testbed was designed to be flexible and capable enough to explore a variety of computing models and hardware design points in order to understand the impact for various scientific applications. During the project, the testbed also served as a valuable resource to application scientists. Applications from a diverse set of projects such as MG-RAST (a metagenomics analysis server), the Joint Genome Institute, the STAR experiment at the Relativistic Heavy Ion Collider, and the Laser Interferometer Gravitational Wave Observatory (LIGO), were used by the Magellan project for benchmarking within the cloud, but the project teams were also able to accomplish important production science utilizing the Magellan cloud resources.« less

ISCR FY2005 Annual Report

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

Keyes, D E; McGraw, J R

2006-02-02

Large-scale scientific computation and all of the disciplines that support and help validate it have been placed at the focus of Lawrence Livermore National Laboratory (LLNL) by the Advanced Simulation and Computing (ASC) program of the National Nuclear Security Administration (NNSA) and the Scientific Discovery through Advanced Computing (SciDAC) initiative of the Office of Science of the Department of Energy (DOE). The maturation of simulation as a fundamental tool of scientific and engineering research is underscored in the President's Information Technology Advisory Committee (PITAC) June 2005 finding that ''computational science has become critical to scientific leadership, economic competitiveness, and nationalmore » security''. LLNL operates several of the world's most powerful computers--including today's single most powerful--and has undertaken some of the largest and most compute-intensive simulations ever performed, most notably the molecular dynamics simulation that sustained more than 100 Teraflop/s and won the 2005 Gordon Bell Prize. Ultrascale simulation has been identified as one of the highest priorities in DOE's facilities planning for the next two decades. However, computers at architectural extremes are notoriously difficult to use in an efficient manner. Furthermore, each successful terascale simulation only points out the need for much better ways of interacting with the resulting avalanche of data. Advances in scientific computing research have, therefore, never been more vital to the core missions of LLNL than at present. Computational science is evolving so rapidly along every one of its research fronts that to remain on the leading edge, LLNL must engage researchers at many academic centers of excellence. In FY 2005, the Institute for Scientific Computing Research (ISCR) served as one of LLNL's main bridges to the academic community with a program of collaborative subcontracts, visiting faculty, student internships, workshops, and an active seminar series. The ISCR identifies researchers from the academic community for computer science and computational science collaborations with LLNL and hosts them for both brief and extended visits with the aim of encouraging long-term academic research agendas that address LLNL research priorities. Through these collaborations, ideas and software flow in both directions, and LLNL cultivates its future workforce. The Institute strives to be LLNL's ''eyes and ears'' in the computer and information sciences, keeping the Laboratory aware of and connected to important external advances. It also attempts to be the ''hands and feet'' that carry those advances into the Laboratory and incorporate them into practice. ISCR research participants are integrated into LLNL's Computing Applications and Research (CAR) Department, especially into its Center for Applied Scientific Computing (CASC). In turn, these organizations address computational challenges arising throughout the rest of the Laboratory. Administratively, the ISCR flourishes under LLNL's University Relations Program (URP). Together with the other four institutes of the URP, the ISCR navigates a course that allows LLNL to benefit from academic exchanges while preserving national security. While it is difficult to operate an academic-like research enterprise within the context of a national security laboratory, the results declare the challenges well met and worth the continued effort. The pages of this annual report summarize the activities of the faculty members, postdoctoral researchers, students, and guests from industry and other laboratories who participated in LLNL's computational mission under the auspices of the ISCR during FY 2005.« less

SDC DOCUMENTS APPLICABLE TO STATE AND LOCAL GOVERNMENT PROBLEMS.

DTIC Science & Technology

Public administration , Urban and regional planning, The administration of justice, Bio-medical systems, Educational systems, Computer program systems, The development and management of computer-based systems, Information retrieval, Simulation. AD numbers are provided for those documents which can be obtained from the Defense Documentation Center or the Department of Commerce’s Clearinghouse for Federal Scientific and Technical Information.

Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

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

Cramer, Christopher J.

Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

A 3D-PIV System for Gas Turbine Applications

NASA Astrophysics Data System (ADS)

Acharya, Sumanta

2002-08-01

Funds were received in April 2001 under the Department of Defense DURIP program for construction of a 48 processor high performance computing cluster. This report details the hardware, which was purchased, and how it has been used to enable and enhance research activities directly supported by, and of interest to, the Air Force Office of Scientific Research and the Department of Defense. The report is divided into two major sections. The first section after the summary describes the computer cluster, its setup, and some cluster hardware, and presents highlights of those efforts since installation of the cluster.

White House announces “big data” initiative

NASA Astrophysics Data System (ADS)

Showstack, Randy

2012-04-01

The world is now generating zetabytes—which is 10 to the 21st power, or a billion trillion bytess—of information every year, according to John Holdren, director of the White House Office of Science and Technology Policy. With data volumes growing exponentially from a variety of sources such as computers running large-scale models, scientific instruments including telescopes and particle accelerators, and even online retail transactions, a key challenge is to better manage and utilize the data. The Big Data Research and Development Initiative, launched by the White House at a 29 March briefing, initially includes six federal departments and agencies providing more than $200 million in new commitments to improve tools and techniques for better accessing, organizing, and using data for scientific advances. The agencies and departments include the National Science Foundation (NSF), Department of Energy, U.S. Geological Survey (USGS), National Institutes of Health (NIH), Department of Defense, and Defense Advanced Research Projects Agency.

JPRS Report, Science & Technology, USSR: Computers

DTIC Science & Technology

1987-09-23

pages of Literary Gazette, it would be appropriate to proceed with a literary example. Not just elegance of handwriting (made absolutely unnecessary... adult population of the industrially developed nations would have been absorbed by scientific organizations. For this reason, the phenomenon of so...The Institute’s festivities are over. The young specialists in the computer department are in an elated mood . Thanks to their enthusiasm, clearness

ASCR Cybersecurity for Scientific Computing Integrity - Research Pathways and Ideas Workshop

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

Peisert, Sean; Potok, Thomas E.; Jones, Todd

At the request of the U.S. Department of Energy's (DOE) Office of Science (SC) Advanced Scientific Computing Research (ASCR) program office, a workshop was held June 2-3, 2015, in Gaithersburg, MD, to identify potential long term (10 to +20 year) cybersecurity fundamental basic research and development challenges, strategies and roadmap facing future high performance computing (HPC), networks, data centers, and extreme-scale scientific user facilities. This workshop was a follow-on to the workshop held January 7-9, 2015, in Rockville, MD, that examined higher level ideas about scientific computing integrity specific to the mission of the DOE Office of Science. Issues includedmore » research computation and simulation that takes place on ASCR computing facilities and networks, as well as network-connected scientific instruments, such as those run by various DOE Office of Science programs. Workshop participants included researchers and operational staff from DOE national laboratories, as well as academic researchers and industry experts. Participants were selected based on the submission of abstracts relating to the topics discussed in the previous workshop report [1] and also from other ASCR reports, including "Abstract Machine Models and Proxy Architectures for Exascale Computing" [27], the DOE "Preliminary Conceptual Design for an Exascale Computing Initiative" [28], and the January 2015 machine learning workshop [29]. The workshop was also attended by several observers from DOE and other government agencies. The workshop was divided into three topic areas: (1) Trustworthy Supercomputing, (2) Extreme-Scale Data, Knowledge, and Analytics for Understanding and Improving Cybersecurity, and (3) Trust within High-end Networking and Data Centers. Participants were divided into three corresponding teams based on the category of their abstracts. The workshop began with a series of talks from the program manager and workshop chair, followed by the leaders for each of the three topics and a representative of each of the four major DOE Office of Science Advanced Scientific Computing Research Facilities: the Argonne Leadership Computing Facility (ALCF), the Energy Sciences Network (ESnet), the National Energy Research Scientific Computing Center (NERSC), and the Oak Ridge Leadership Computing Facility (OLCF). The rest of the workshop consisted of topical breakout discussions and focused writing periods that produced much of this report.« less

Commission on the Future of the United States Aerospace Industry

DTIC Science & Technology

2002-11-01

ballistics of a baseball, computing gas mileage in Corvettes, the chemistry of cosmetics , etc.) provokes student interest in core scientific areas... Fenton Carey, Deputy Director for Production Department of Transportation/Federal Aviation Administration Permanent Staff Mr. William J. Bihner, Jr

Galen Maclaurin | NREL

Science.gov Websites

Scientific programming and high performance computing Research Interests Wind and solar resource assessment , Department of Geography and Environmental Sciences, Denver, CO Research Assistant, National Center for Atmospheric Research (NCAR), Boulder, CO Graduate Instructor and Research Assistant, University of Colorado

Final Technical Progress Report; Closeout Certifications; CSSV Newsletter Volume I; CSSV Newsletter Volume II; CSSV Activity Journal; CSSV Final Financial Report

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

Houston, Johnny L; Geter, Kerry

This Project?s third year of implementation in 2007-2008, the final year, as designated by Elizabeth City State University (ECSU), in cooperation with the National Association of Mathematicians (NAM) Inc., in an effort to promote research and research training programs in computational science ? scientific visualization (CSSV). A major goal of the Project was to attract the energetic and productive faculty, graduate and upper division undergraduate students of diverse ethnicities to a program that investigates science and computational science issues of long-term interest to the Department of Energy (DoE) and the nation. The breadth and depth of computational science?scientific visualization andmore » the magnitude of resources available are enormous for permitting a variety of research activities. ECSU?s Computational Science-Science Visualization Center will serve as a conduit for directing users to these enormous resources.« less

ONRASIA Scientific Information Bulletin. Volume 8, Number 3, July- September 1993

DTIC Science & Technology

1993-09-01

the Ninth Symposium on Preconditioned Conjugate Dr. Steven F. Ashby Gradient Methods , which he organized. Computing Sciences Department Computing...ditioned Conjugate Gradient Methods , held at Keio chines and is currently a topic of considerable University (Yokohama). During this meeting, I interest...in the United States. In Japan, on the other discussed iterative methods for linear systems with hand, this technique does not appear to be too well

Outcomes from the DOE Workshop on Turbulent Flow Simulation at the Exascale

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

Sprague, Michael; Boldyrev, Stanislav; Chang, Choong-Seock

This paper summarizes the outcomes from the Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop, which was held 4-5 August 2015, and was sponsored by the U.S. Department of Energy Office of Advanced Scientific Computing Research. The workshop objective was to define and describe the challenges and opportunities that computing at the exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the U.S. Department of Energy applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought togethermore » experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.« less

A BIOINFORMATIC STRATEGY TO RAPIDLY CHARACTERIZE CDNA LIBRARIES

EPA Science Inventory

A Bioinformatic Strategy to Rapidly Characterize cDNA Libraries

G. Charles Ostermeier1, David J. Dix2 and Stephen A. Krawetz1.
1Departments of Obstetrics and Gynecology, Center for Molecular Medicine and Genetics, & Institute for Scientific Computing, Wayne State Univer...

SPERMATOZOAL RNA PROFILES OF NORMAL FERTILE MEN

EPA Science Inventory

What Constitutes the Normal Fertile Male?

G. Charles Ostermeier1, David J. Dix2, David Miller3, Purvesh Khatri4, and Stephen A. Krawetz1.

1Departments of Obstetrics and Gynaecology, Center for Molecular Medicine and Genetics, & Institute for Scientific Computing, Wa...

Applied Mathematics at the U.S. Department of Energy: Past, Present and a View to the Future

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

Brown, D L; Bell, J; Estep, D

2008-02-15

Over the past half-century, the Applied Mathematics program in the U.S. Department of Energy's Office of Advanced Scientific Computing Research has made significant, enduring advances in applied mathematics that have been essential enablers of modern computational science. Motivated by the scientific needs of the Department of Energy and its predecessors, advances have been made in mathematical modeling, numerical analysis of differential equations, optimization theory, mesh generation for complex geometries, adaptive algorithms and other important mathematical areas. High-performance mathematical software libraries developed through this program have contributed as much or more to the performance of modern scientific computer codes as themore » high-performance computers on which these codes run. The combination of these mathematical advances and the resulting software has enabled high-performance computers to be used for scientific discovery in ways that could only be imagined at the program's inception. Our nation, and indeed our world, face great challenges that must be addressed in coming years, and many of these will be addressed through the development of scientific understanding and engineering advances yet to be discovered. The U.S. Department of Energy (DOE) will play an essential role in providing science-based solutions to many of these problems, particularly those that involve the energy, environmental and national security needs of the country. As the capability of high-performance computers continues to increase, the types of questions that can be answered by applying this huge computational power become more varied and more complex. It will be essential that we find new ways to develop and apply the mathematics necessary to enable the new scientific and engineering discoveries that are needed. In August 2007, a panel of experts in applied, computational and statistical mathematics met for a day and a half in Berkeley, California to understand the mathematical developments required to meet the future science and engineering needs of the DOE. It is important to emphasize that the panelists were not asked to speculate only on advances that might be made in their own research specialties. Instead, the guidance this panel was given was to consider the broad science and engineering challenges that the DOE faces and identify the corresponding advances that must occur across the field of mathematics for these challenges to be successfully addressed. As preparation for the meeting, each panelist was asked to review strategic planning and other informational documents available for one or more of the DOE Program Offices, including the Offices of Science, Nuclear Energy, Fossil Energy, Environmental Management, Legacy Management, Energy Efficiency & Renewable Energy, Electricity Delivery & Energy Reliability and Civilian Radioactive Waste Management as well as the National Nuclear Security Administration. The panelists reported on science and engineering needs for each of these offices, and then discussed and identified mathematical advances that will be required if these challenges are to be met. A review of DOE challenges in energy, the environment and national security brings to light a broad and varied array of questions that the DOE must answer in the coming years. A representative subset of such questions includes: (1) Can we predict the operating characteristics of a clean coal power plant? (2) How stable is the plasma containment in a tokamak? (3) How quickly is climate change occurring and what are the uncertainties in the predicted time scales? (4) How quickly can an introduced bio-weapon contaminate the agricultural environment in the US? (5) How do we modify models of the atmosphere and clouds to incorporate newly collected data of possibly of new types? (6) How quickly can the United States recover if part of the power grid became inoperable? (7) What are optimal locations and communication protocols for sensing devices in a remote-sensing network? (8) How can new materials be designed with a specified desirable set of properties? In comparing and contrasting these and other questions of importance to DOE, the panel found that while the scientific breadth of the requirements is enormous, a central theme emerges: Scientists are being asked to identify or provide technology, or to give expert analysis to inform policy-makers that requires the scientific understanding of increasingly complex physical and engineered systems. In addition, as the complexity of the systems of interest increases, neither experimental observation nor mathematical and computational modeling alone can access all components of the system over the entire range of scales or conditions needed to provide the required scientific understanding.« less

Automated metadata--final project report

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

Schissel, David

This report summarizes the work of the Automated Metadata, Provenance Cataloging, and Navigable Interfaces: Ensuring the Usefulness of Extreme-Scale Data Project (MPO Project) funded by the United States Department of Energy (DOE), Offices of Advanced Scientific Computing Research and Fusion Energy Sciences. Initially funded for three years starting in 2012, it was extended for 6 months with additional funding. The project was a collaboration between scientists at General Atomics, Lawrence Berkley National Laboratory (LBNL), and Massachusetts Institute of Technology (MIT). The group leveraged existing computer science technology where possible, and extended or created new capabilities where required. The MPO projectmore » was able to successfully create a suite of software tools that can be used by a scientific community to automatically document their scientific workflows. These tools were integrated into workflows for fusion energy and climate research illustrating the general applicability of the project’s toolkit. Feedback was very positive on the project’s toolkit and the value of such automatic workflow documentation to the scientific endeavor.« less

Accelerating scientific discovery : 2007 annual report.

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

Beckman, P.; Dave, P.; Drugan, C.

2008-11-14

As a gateway for scientific discovery, the Argonne Leadership Computing Facility (ALCF) works hand in hand with the world's best computational scientists to advance research in a diverse span of scientific domains, ranging from chemistry, applied mathematics, and materials science to engineering physics and life sciences. Sponsored by the U.S. Department of Energy's (DOE) Office of Science, researchers are using the IBM Blue Gene/L supercomputer at the ALCF to study and explore key scientific problems that underlie important challenges facing our society. For instance, a research team at the University of California-San Diego/ SDSC is studying the molecular basis ofmore » Parkinson's disease. The researchers plan to use the knowledge they gain to discover new drugs to treat the disease and to identify risk factors for other diseases that are equally prevalent. Likewise, scientists from Pratt & Whitney are using the Blue Gene to understand the complex processes within aircraft engines. Expanding our understanding of jet engine combustors is the secret to improved fuel efficiency and reduced emissions. Lessons learned from the scientific simulations of jet engine combustors have already led Pratt & Whitney to newer designs with unprecedented reductions in emissions, noise, and cost of ownership. ALCF staff members provide in-depth expertise and assistance to those using the Blue Gene/L and optimizing user applications. Both the Catalyst and Applications Performance Engineering and Data Analytics (APEDA) teams support the users projects. In addition to working with scientists running experiments on the Blue Gene/L, we have become a nexus for the broader global community. In partnership with the Mathematics and Computer Science Division at Argonne National Laboratory, we have created an environment where the world's most challenging computational science problems can be addressed. Our expertise in high-end scientific computing enables us to provide guidance for applications that are transitioning to petascale as well as to produce software that facilitates their development, such as the MPICH library, which provides a portable and efficient implementation of the MPI standard--the prevalent programming model for large-scale scientific applications--and the PETSc toolkit that provides a programming paradigm that eases the development of many scientific applications on high-end computers.« less

Opportunities for Computational Discovery in Basic Energy Sciences

NASA Astrophysics Data System (ADS)

Pederson, Mark

2011-03-01

An overview of the broad-ranging support of computational physics and computational science within the Department of Energy Office of Science will be provided. Computation as the third branch of physics is supported by all six offices (Advanced Scientific Computing, Basic Energy, Biological and Environmental, Fusion Energy, High-Energy Physics, and Nuclear Physics). Support focuses on hardware, software and applications. Most opportunities within the fields of~condensed-matter physics, chemical-physics and materials sciences are supported by the Officeof Basic Energy Science (BES) or through partnerships between BES and the Office for Advanced Scientific Computing. Activities include radiation sciences, catalysis, combustion, materials in extreme environments, energy-storage materials, light-harvesting and photovoltaics, solid-state lighting and superconductivity.~ A summary of two recent reports by the computational materials and chemical communities on the role of computation during the next decade will be provided. ~In addition to materials and chemistry challenges specific to energy sciences, issues identified~include a focus on the role of the domain scientist in integrating, expanding and sustaining applications-oriented capabilities on evolving high-performance computing platforms and on the role of computation in accelerating the development of innovative technologies. ~~

Advanced Scientific Computing Research Network Requirements: ASCR Network Requirements Review Final Report

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

Bacon, Charles; Bell, Greg; Canon, Shane

The Energy Sciences Network (ESnet) is the primary provider of network connectivity for the U.S. Department of Energy (DOE) Office of Science (SC), the single largest supporter of basic research in the physical sciences in the United States. In support of SC programs, ESnet regularly updates and refreshes its understanding of the networking requirements of the instruments, facilities, scientists, and science programs that it serves. This focus has helped ESnet to be a highly successful enabler of scientific discovery for over 25 years. In October 2012, ESnet and the Office of Advanced Scientific Computing Research (ASCR) of the DOE SCmore » organized a review to characterize the networking requirements of the programs funded by the ASCR program office. The requirements identified at the review are summarized in the Findings section, and are described in more detail in the body of the report.« less

Department of Defense In-House RDT and E Activities: Management Analysis Report for Fiscal Year 1993

DTIC Science & Technology

1994-11-01

A worldwide unique lab because it houses a high - speed modeling and simulation system, a prototype...E Division, San Diego, CA: High Performance Computing Laboratory providing a wide range of advanced computer systems for the scientific investigation...Machines CM-200 and a 256-node Thinking Machines CM-S. The CM-5 is in a very large memory, ( high performance 32 Gbytes, >4 0 OFlop) coafiguration,

Harnessing the power of emerging petascale platforms

NASA Astrophysics Data System (ADS)

Mellor-Crummey, John

2007-07-01

As part of the US Department of Energy's Scientific Discovery through Advanced Computing (SciDAC-2) program, science teams are tackling problems that require computational simulation and modeling at the petascale. A grand challenge for computer science is to develop software technology that makes it easier to harness the power of these systems to aid scientific discovery. As part of its activities, the SciDAC-2 Center for Scalable Application Development Software (CScADS) is building open source software tools to support efficient scientific computing on the emerging leadership-class platforms. In this paper, we describe two tools for performance analysis and tuning that are being developed as part of CScADS: a tool for analyzing scalability and performance, and a tool for optimizing loop nests for better node performance. We motivate these tools by showing how they apply to S3D, a turbulent combustion code under development at Sandia National Laboratory. For S3D, our node performance analysis tool helped uncover several performance bottlenecks. Using our loop nest optimization tool, we transformed S3D's most costly loop nest to reduce execution time by a factor of 2.94 for a processor working on a 503 domain.

[Organization of clinical research: in general and visceral surgery].

PubMed

Schneider, M; Werner, J; Weitz, J; Büchler, M W

2010-04-01

The structural organization of research facilities within a surgical university center should aim at strengthening the department's research output and likewise provide opportunities for the scientific education of academic surgeons. We suggest a model in which several independent research groups within a surgical department engage in research projects covering various aspects of surgically relevant basic, translational or clinical research. In order to enhance the translational aspects of surgical research, a permanent link needs to be established between the department's scientific research projects and its chief interests in clinical patient care. Importantly, a focus needs to be placed on obtaining evidence-based data to judge the efficacy of novel diagnostic and treatment concepts. Integration of modern technologies from the fields of physics, computer science and molecular medicine into surgical research necessitates cooperation with external research facilities, which can be strengthened by coordinated support programs offered by research funding institutions.

Only One Science: Twelfth Annual Report of the National Science Board.

ERIC Educational Resources Information Center

National Science Foundation, Washington, DC. National Science Board.

Departing markedly from previous reports to Congress by the National Science Board, this document presents in an informal, narrative style six stories depicting scientific discoveries and their effects on society. Drawn from the physical, biological, medical, and social sciences, topics discussed include: (1) computers and semiconductors; (2)…

Student research laboratory for optical engineering

NASA Astrophysics Data System (ADS)

Tolstoba, Nadezhda D.; Saitgalina, Azaliya; Abdula, Polina; Butova, Daria

2015-10-01

Student research laboratory for optical engineering is comfortable place for student's scientific and educational activity. The main ideas of laboratory, process of creation of laboratory and also activity of laboratory are described in this article. At ITMO University in 2013-2014 were formed a lot of research laboratories. SNLO is a student research (scientific) laboratory formed by the Department of Applied and computer optics of the University ITMO (Information Technologies of Mechanics and Optics). Activity of laboratory is career guidance of entrants and students in the field of optical engineering. Student research laboratory for optical engineering is a place where student can work in the interesting and entertaining scientific atmosphere.

DOE High Performance Computing Operational Review (HPCOR): Enabling Data-Driven Scientific Discovery at HPC Facilities

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

Gerber, Richard; Allcock, William; Beggio, Chris

2014-10-17

U.S. Department of Energy (DOE) High Performance Computing (HPC) facilities are on the verge of a paradigm shift in the way they deliver systems and services to science and engineering teams. Research projects are producing a wide variety of data at unprecedented scale and level of complexity, with community-specific services that are part of the data collection and analysis workflow. On June 18-19, 2014 representatives from six DOE HPC centers met in Oakland, CA at the DOE High Performance Operational Review (HPCOR) to discuss how they can best provide facilities and services to enable large-scale data-driven scientific discovery at themore » DOE national laboratories. The report contains findings from that review.« less

A History of the ARPANET: The First Decade

DTIC Science & Technology

1981-04-01

10 2.2 Major Technical Problems and Approaches 11-12 2.3 Major Changes in Objectives and Approaches 11-19 3, ,3 Scientific and Technical Results and...successful projects ever undertaken by DARPA! The program has initiated extensive changes in the Defense Department’s use of computers as well as in...the ARPANET project represents a similarly far-reaching change in the use of computers by mankind. The full impact of the technical changes set in

Optimisation of the usage of LHC and local computing resources in a multidisciplinary physics department hosting a WLCG Tier-2 centre

NASA Astrophysics Data System (ADS)

Barberis, Stefano; Carminati, Leonardo; Leveraro, Franco; Mazza, Simone Michele; Perini, Laura; Perlz, Francesco; Rebatto, David; Tura, Ruggero; Vaccarossa, Luca; Villaplana, Miguel

2015-12-01

We present the approach of the University of Milan Physics Department and the local unit of INFN to allow and encourage the sharing among different research areas of computing, storage and networking resources (the largest ones being those composing the Milan WLCG Tier-2 centre and tailored to the needs of the ATLAS experiment). Computing resources are organised as independent HTCondor pools, with a global master in charge of monitoring them and optimising their usage. The configuration has to provide satisfactory throughput for both serial and parallel (multicore, MPI) jobs. A combination of local, remote and cloud storage options are available. The experience of users from different research areas operating on this shared infrastructure is discussed. The promising direction of improving scientific computing throughput by federating access to distributed computing and storage also seems to fit very well with the objectives listed in the European Horizon 2020 framework for research and development.

HPC Software Stack Testing Framework

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

Garvey, Cormac

The HPC Software stack testing framework (hpcswtest) is used in the INL Scientific Computing Department to test the basic sanity and integrity of the HPC Software stack (Compilers, MPI, Numerical libraries and Applications) and to quickly discover hard failures, and as a by-product it will indirectly check the HPC infrastructure (network, PBS and licensing servers).

Information Storage and Retrieval Scientific Report No. ISR-22.

ERIC Educational Resources Information Center

Salton, Gerard

The twenty-second in a series, this report describes research in information organization and retrieval conducted by the Department of Computer Science at Cornell University. The report covers work carried out during the period summer 1972 through summer 1974 and is divided into four parts: indexing theory, automatic content analysis, feedback…

Scientific Discovery through Advanced Computing in Plasma Science

NASA Astrophysics Data System (ADS)

Tang, William

2005-03-01

Advanced computing is generally recognized to be an increasingly vital tool for accelerating progress in scientific research during the 21st Century. For example, the Department of Energy's ``Scientific Discovery through Advanced Computing'' (SciDAC) Program was motivated in large measure by the fact that formidable scientific challenges in its research portfolio could best be addressed by utilizing the combination of the rapid advances in super-computing technology together with the emergence of effective new algorithms and computational methodologies. The imperative is to translate such progress into corresponding increases in the performance of the scientific codes used to model complex physical systems such as those encountered in high temperature plasma research. If properly validated against experimental measurements and analytic benchmarks, these codes can provide reliable predictive capability for the behavior of a broad range of complex natural and engineered systems. This talk reviews recent progress and future directions for advanced simulations with some illustrative examples taken from the plasma science applications area. Significant recent progress has been made in both particle and fluid simulations of fine-scale turbulence and large-scale dynamics, giving increasingly good agreement between experimental observations and computational modeling. This was made possible by the combination of access to powerful new computational resources together with innovative advances in analytic and computational methods for developing reduced descriptions of physics phenomena spanning a huge range in time and space scales. In particular, the plasma science community has made excellent progress in developing advanced codes for which computer run-time and problem size scale well with the number of processors on massively parallel machines (MPP's). A good example is the effective usage of the full power of multi-teraflop (multi-trillion floating point computations per second) MPP's to produce three-dimensional, general geometry, nonlinear particle simulations which have accelerated progress in understanding the nature of plasma turbulence in magnetically-confined high temperature plasmas. These calculations, which typically utilized billions of particles for thousands of time-steps, would not have been possible without access to powerful present generation MPP computers and the associated diagnostic and visualization capabilities. In general, results from advanced simulations provide great encouragement for being able to include increasingly realistic dynamics to enable deeper physics insights into plasmas in both natural and laboratory environments. The associated scientific excitement should serve to stimulate improved cross-cutting collaborations with other fields and also to help attract bright young talent to the computational science area.

Implementation of the Flipped Classroom Model in the Scientific Ethics Course

ERIC Educational Resources Information Center

Urfa, Mehmet; Durak, Gürhan

2017-01-01

In the present study, the purpose was to determine students' views about the application of Flipped Classroom Model (FL), in which, different from the traditional method, homework is replaced by in-class activities and which has frequently been mentioned recently. The study was carried out with 24 students from the department of Computer Education…

Integrating Grid Services into the Cray XT4 Environment

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

NERSC; Cholia, Shreyas; Lin, Hwa-Chun Wendy

2009-05-01

The 38640 core Cray XT4"Franklin" system at the National Energy Research Scientific Computing Center (NERSC) is a massively parallel resource available to Department of Energy researchers that also provides on-demand grid computing to the Open Science Grid. The integration of grid services on Franklin presented various challenges, including fundamental differences between the interactive and compute nodes, a stripped down compute-node operating system without dynamic library support, a shared-root environment and idiosyncratic application launching. Inour work, we describe how we resolved these challenges on a running, general-purpose production system to provide on-demand compute, storage, accounting and monitoring services through generic gridmore » interfaces that mask the underlying system-specific details for the end user.« less

Cooperative fault-tolerant distributed computing U.S. Department of Energy Grant DE-FG02-02ER25537 Final Report

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

Sunderam, Vaidy S.

2007-01-09

The Harness project has developed novel software frameworks for the execution of high-end simulations in a fault-tolerant manner on distributed resources. The H2O subsystem comprises the kernel of the Harness framework, and controls the key functions of resource management across multiple administrative domains, especially issues of access and allocation. It is based on a “pluggable” architecture that enables the aggregated use of distributed heterogeneous resources for high performance computing. The major contributions of the Harness II project result in significantly enhancing the overall computational productivity of high-end scientific applications by enabling robust, failure-resilient computations on cooperatively pooled resource collections.

PREFACE: IC-MSQUARE 2012: International Conference on Mathematical Modelling in Physical Sciences

NASA Astrophysics Data System (ADS)

Kosmas, Theocharis; Vagenas, Elias; Vlachos, Dimitrios

2013-02-01

The first International Conference on Mathematical Modelling in Physical Sciences (IC-MSQUARE) took place in Budapest, Hungary, from Monday 3 to Friday 7 September 2012. The conference was attended by more than 130 participants, and hosted about 290 oral, poster and virtual papers by more than 460 pre-registered authors. The first IC-MSQUARE consisted of different and diverging workshops and thus covered various research fields in which mathematical modelling is used, such as theoretical/mathematical physics, neutrino physics, non-integrable systems, dynamical systems, computational nanoscience, biological physics, computational biomechanics, complex networks, stochastic modelling, fractional statistics, DNA dynamics, and macroeconomics. The scientific program was rather heavy since after the Keynote and Invited Talks in the morning, two parallel sessions ran every day. However, according to all attendees, the program was excellent with a high level of talks and the scientific environment was fruitful; thus all attendees had a creative time. The mounting question is whether this occurred accidentally, or whether IC-MSQUARE is a necessity in the field of physical and mathematical modelling. For all of us working in the field, the existing and established conferences in this particular field suffer from two distinguished and recognized drawbacks: the first is the increasing orientation, while the second refers to the extreme specialization of the meetings. Therefore, a conference which aims to promote the knowledge and development of high-quality research in mathematical fields concerned with applications of other scientific fields as well as modern technological trends in physics, chemistry, biology, medicine, economics, sociology, environmental sciences etc., appears to be a necessity. This is the key role that IC-MSQUARE will play. We would like to thank the Keynote Speaker and the Invited Speakers for their significant contributions to IC-MSQUARE. We would also like to thank the members of the International Scientific Committee and the members of the Organizing Committee. Conference Chairmen Theocharis Kosmas Department of Physics, University of Ioannina Elias Vagenas RCAAM, Academy of Athens Dimitrios Vlachos Department of Computer Science and Technology, University of Peloponnese The PDF also contains a list of members of the International Scientific Committes and details of the Keynote and Invited Speakers.

2008 ALCF annual report.

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

Drugan, C.

2009-12-07

The word 'breakthrough' aptly describes the transformational science and milestones achieved at the Argonne Leadership Computing Facility (ALCF) throughout 2008. The number of research endeavors undertaken at the ALCF through the U.S. Department of Energy's (DOE) Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program grew from 9 in 2007 to 20 in 2008. The allocation of computer time awarded to researchers on the Blue Gene/P also spiked significantly - from nearly 10 million processor hours in 2007 to 111 million in 2008. To support this research, we expanded the capabilities of Intrepid, an IBM Blue Gene/P systemmore » at the ALCF, to 557 teraflops (TF) for production use. Furthermore, we enabled breakthrough levels of productivity and capability in visualization and data analysis with Eureka, a powerful installation of NVIDIA Quadro Plex S4 external graphics processing units. Eureka delivered a quantum leap in visual compute density, providing more than 111 TF and more than 3.2 terabytes of RAM. On April 21, 2008, the dedication of the ALCF realized DOE's vision to bring the power of the Department's high performance computing to open scientific research. In June, the IBM Blue Gene/P supercomputer at the ALCF debuted as the world's fastest for open science and third fastest overall. No question that the science benefited from this growth and system improvement. Four research projects spearheaded by Argonne National Laboratory computer scientists and ALCF users were named to the list of top ten scientific accomplishments supported by DOE's Advanced Scientific Computing Research (ASCR) program. Three of the top ten projects used extensive grants of computing time on the ALCF's Blue Gene/P to model the molecular basis of Parkinson's disease, design proteins at atomic scale, and create enzymes. As the year came to a close, the ALCF was recognized with several prestigious awards at SC08 in November. We provided resources for Linear Scaling Divide-and-Conquer Electronic Structure Calculations for Thousand Atom Nanostructures, a collaborative effort between Argonne, Lawrence Berkeley National Laboratory, and Oak Ridge National Laboratory that received the ACM Gordon Bell Prize Special Award for Algorithmic Innovation. The ALCF also was named a winner in two of the four categories in the HPC Challenge best performance benchmark competition.« less

Crosscut report: Exascale Requirements Reviews, March 9–10, 2017 – Tysons Corner, Virginia. An Office of Science review sponsored by: Advanced Scientific Computing Research, Basic Energy Sciences, Biological and Environmental Research, Fusion Energy Sciences, High Energy Physics, Nuclear Physics

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

Gerber, Richard; Hack, James; Riley, Katherine

The mission of the U.S. Department of Energy Office of Science (DOE SC) is the delivery of scientific discoveries and major scientific tools to transform our understanding of nature and to advance the energy, economic, and national security missions of the United States. To achieve these goals in today’s world requires investments in not only the traditional scientific endeavors of theory and experiment, but also in computational science and the facilities that support large-scale simulation and data analysis. The Advanced Scientific Computing Research (ASCR) program addresses these challenges in the Office of Science. ASCR’s mission is to discover, develop, andmore » deploy computational and networking capabilities to analyze, model, simulate, and predict complex phenomena important to DOE. ASCR supports research in computational science, three high-performance computing (HPC) facilities — the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory and Leadership Computing Facilities at Argonne (ALCF) and Oak Ridge (OLCF) National Laboratories — and the Energy Sciences Network (ESnet) at Berkeley Lab. ASCR is guided by science needs as it develops research programs, computers, and networks at the leading edge of technologies. As we approach the era of exascale computing, technology changes are creating challenges for science programs in SC for those who need to use high performance computing and data systems effectively. Numerous significant modifications to today’s tools and techniques will be needed to realize the full potential of emerging computing systems and other novel computing architectures. To assess these needs and challenges, ASCR held a series of Exascale Requirements Reviews in 2015–2017, one with each of the six SC program offices,1 and a subsequent Crosscut Review that sought to integrate the findings from each. Participants at the reviews were drawn from the communities of leading domain scientists, experts in computer science and applied mathematics, ASCR facility staff, and DOE program managers in ASCR and the respective program offices. The purpose of these reviews was to identify mission-critical scientific problems within the DOE Office of Science (including experimental facilities) and determine the requirements for the exascale ecosystem that would be needed to address those challenges. The exascale ecosystem includes exascale computing systems, high-end data capabilities, efficient software at scale, libraries, tools, and other capabilities. This effort will contribute to the development of a strategic roadmap for ASCR compute and data facility investments and will help the ASCR Facility Division establish partnerships with Office of Science stakeholders. It will also inform the Office of Science research needs and agenda. The results of the six reviews have been published in reports available on the web at http://exascaleage.org/. This report presents a summary of the individual reports and of common and crosscutting findings, and it identifies opportunities for productive collaborations among the DOE SC program offices.« less

Scientific Computing Strategic Plan for the Idaho National Laboratory

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

Whiting, Eric Todd

Scientific computing is a critical foundation of modern science. Without innovations in the field of computational science, the essential missions of the Department of Energy (DOE) would go unrealized. Taking a leadership role in such innovations is Idaho National Laboratory’s (INL’s) challenge and charge, and is central to INL’s ongoing success. Computing is an essential part of INL’s future. DOE science and technology missions rely firmly on computing capabilities in various forms. Modeling and simulation, fueled by innovations in computational science and validated through experiment, are a critical foundation of science and engineering. Big data analytics from an increasing numbermore » of widely varied sources is opening new windows of insight and discovery. Computing is a critical tool in education, science, engineering, and experiments. Advanced computing capabilities in the form of people, tools, computers, and facilities, will position INL competitively to deliver results and solutions on important national science and engineering challenges. A computing strategy must include much more than simply computers. The foundational enabling component of computing at many DOE national laboratories is the combination of a showcase like data center facility coupled with a very capable supercomputer. In addition, network connectivity, disk storage systems, and visualization hardware are critical and generally tightly coupled to the computer system and co located in the same facility. The existence of these resources in a single data center facility opens the doors to many opportunities that would not otherwise be possible.« less

Delivering Insight The History of the Accelerated Strategic Computing Initiative

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

Larzelere II, A R

2007-01-03

The history of the Accelerated Strategic Computing Initiative (ASCI) tells of the development of computational simulation into a third fundamental piece of the scientific method, on a par with theory and experiment. ASCI did not invent the idea, nor was it alone in bringing it to fruition. But ASCI provided the wherewithal - hardware, software, environment, funding, and, most of all, the urgency - that made it happen. On October 1, 2005, the Initiative completed its tenth year of funding. The advances made by ASCI over its first decade are truly incredible. Lawrence Livermore, Los Alamos, and Sandia National Laboratories,more » along with leadership provided by the Department of Energy's Defense Programs Headquarters, fundamentally changed computational simulation and how it is used to enable scientific insight. To do this, astounding advances were made in simulation applications, computing platforms, and user environments. ASCI dramatically changed existing - and forged new - relationships, both among the Laboratories and with outside partners. By its tenth anniversary, despite daunting challenges, ASCI had accomplished all of the major goals set at its beginning. The history of ASCI is about the vision, leadership, endurance, and partnerships that made these advances possible.« less

A Vision on the Status and Evolution of HEP Physics Software Tools

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

Canal, P.; Elvira, D.; Hatcher, R.

2013-07-28

This paper represents the vision of the members of the Fermilab Scientific Computing Division's Computational Physics Department (SCD-CPD) on the status and the evolution of various HEP software tools such as the Geant4 detector simulation toolkit, the Pythia and GENIE physics generators, and the ROOT data analysis framework. The goal of this paper is to contribute ideas to the Snowmass 2013 process toward the composition of a unified document on the current status and potential evolution of the physics software tools which are essential to HEP.

A Federal Vision for Future Computing: A Nanotechnology-Inspired Grand Challenge

DTIC Science & Technology

2016-07-29

Science Foundation (NSF), Department of Defense (DOD), National Institute of Standards and Technology (NIST), Intelligence Community (IC) Introduction...multiple Federal agencies: • Intelligent big data sensors that act autonomously and are programmable via the network for increased flexibility, and... intelligence for scientific discovery enabled by rapid extreme-scale data analysis, capable of understanding and making sense of results and thereby

Department of Defense In-House RDT and E Activities

DTIC Science & Technology

1976-10-30

BALLISTIC TESTS.FAC AVAL FCR TESIS OF SP ELELTRONIC’ FIl’ CON EQUIP 4 RELATED SYSTEMS E COMPONFNTZ, 35 INSTALLATION: MEDICAL BIOENGINEERINC- R&D LABORATORY...ANALYSIS OF CHEMICAL AND METALLOGRAPHIC EFFECTS, MICROBIOLOGICAL EFFECTS, CLIMATIC ENVIRONMENTAL EFFECTS. TEST AND EVALUATE WARHEADS AND SPECIAL...CCMMUNICATI’N SYST:M INSTRUMENTED DROP ZONES ENGINEERING TEST FACILITY INSTRUMENTATION CALIBRATICN FACILITY SCIENTIFIC COMPUTER CENTER ENVIRONMENTAL TESY

Resident research associateships, postdoctoral research awards 1989: opportunities for research at the U.S. Geological Survey, U.S. Department of the Interior

USGS Publications Warehouse

,; ,

1989-01-01

The scientists of the U.S. Geological Survey are engaged in a wide range of geologic, geophysical, geochemical, hydrologic, and cartographic programs, including the application of computer science to them. These programs offer exciting possibilities for scientific achievement and professional growth to young scientists through participation as Research Associates.

75 FR 32750 - US Air Force Scientific Advisory Board Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-09

... DEPARTMENT OF DEFENSE Department of the Air Force US Air Force Scientific Advisory Board Notice of Meeting AGENCY: Department of the Air Force, US Air Force Scientific Advisory Board. ACTION: Meeting....150, the Department of Defense announces that the United States Air Force Scientific Advisory Board...

Multiscale Computation. Needs and Opportunities for BER Science

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

Scheibe, Timothy D.; Smith, Jeremy C.

2015-01-01

The Environmental Molecular Sciences Laboratory (EMSL), a scientific user facility managed by Pacific Northwest National Laboratory for the U.S. Department of Energy, Office of Biological and Environmental Research (BER), conducted a one-day workshop on August 26, 2014 on the topic of “Multiscale Computation: Needs and Opportunities for BER Science.” Twenty invited participants, from various computational disciplines within the BER program research areas, were charged with the following objectives; Identify BER-relevant models and their potential cross-scale linkages that could be exploited to better connect molecular-scale research to BER research at larger scales and; Identify critical science directions that will motivate EMSLmore » decisions regarding future computational (hardware and software) architectures.« less

76 FR 28215 - U.S. Air Force Scientific Advisory Board Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-16

... DEPARTMENT OF DEFENSE Department of the Air Force U.S. Air Force Scientific Advisory Board Notice of Meeting AGENCY: Department of the Air Force, U.S. Air Force Scientific Advisory Board, DoD. ACTION... 102-3.150, the Department of Defense announces that the United States Air Force Scientific Advisory...

76 FR 18537 - U.S. Air Force Scientific Advisory Board; Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-04

... DEPARTMENT OF DEFENSE Department of the Air Force U.S. Air Force Scientific Advisory Board; Notice of Meeting AGENCY: Department of the Air Force, US Air Force Scientific Advisory Board. ACTION... 102-3.150, the Department of Defense announces that the United States Air Force Scientific Advisory...

Exploring the role of pendant amines in transition metal complexes for the reduction of N2 to hydrazine and ammonia

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

Bhattacharya, Papri; Prokopchuk, Demyan E.; Mock, Michael T.

2017-03-01

This review examines the synthesis and acid reactivity of transition metal dinitrogen complexes bearing diphosphine ligands containing pendant amine groups in the second coordination sphere. This manuscript is a review of the work performed in the Center for Molecular Electrocatalysis. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences. EPR studies on Fe were performed using EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located atmore » PNNL. Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific Northwest National Laboratory is operated by Battelle for the U.S. DOE.« less

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

Garzoglio, Gabriele

The Fermilab Grid and Cloud Computing Department and the KISTI Global Science experimental Data hub Center propose a joint project. The goals are to enable scientific workflows of stakeholders to run on multiple cloud resources by use of (a) Virtual Infrastructure Automation and Provisioning, (b) Interoperability and Federat ion of Cloud Resources , and (c) High-Throughput Fabric Virtualization. This is a matching fund project in which Fermilab and KISTI will contribute equal resources .

Data Crosscutting Requirements Review

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

Kleese van Dam, Kerstin; Shoshani, Arie; Plata, Charity

2013-04-01

In April 2013, a diverse group of researchers from the U.S. Department of Energy (DOE) scientific community assembled to assess data requirements associated with DOE-sponsored scientific facilities and large-scale experiments. Participants in the review included facilities staff, program managers, and scientific experts from the offices of Basic Energy Sciences, Biological and Environmental Research, High Energy Physics, and Advanced Scientific Computing Research. As part of the meeting, review participants discussed key issues associated with three distinct aspects of the data challenge: 1) processing, 2) management, and 3) analysis. These discussions identified commonalities and differences among the needs of varied scientific communities.more » They also helped to articulate gaps between current approaches and future needs, as well as the research advances that will be required to close these gaps. Moreover, the review provided a rare opportunity for experts from across the Office of Science to learn about their collective expertise, challenges, and opportunities. The "Data Crosscutting Requirements Review" generated specific findings and recommendations for addressing large-scale data crosscutting requirements.« less

The Colorado Student Space Weather Experiment: A successful student-run scientific spacecraft mission

NASA Astrophysics Data System (ADS)

Schiller, Q.; Li, X.; Palo, S. E.; Blum, L. W.; Gerhardt, D.

2015-12-01

The Colorado Student Space Weather Experiment is a spacecraft mission developed and operated by students at the University of Colorado, Boulder. The 3U CubeSat was launched from Vandenberg Air Force Base in September 2012. The massively successful mission far outlived its 4 month estimated lifetime and stopped transmitting data after over two years in orbit in December 2014. CSSWE has contributed to 15 scientific or engineering peer-reviewed journal publications. During the course of the project, over 65 undergraduate and graduate students from CU's Computer Science, Aerospace, and Mechanical Engineering Departments, as well as the Astrophysical and Planetary Sciences Department participated. The students were responsible for the design, development, build, integration, testing, and operations from component- to system-level. The variety of backgrounds on this unique project gave the students valuable experience in their own focus area, but also cross-discipline and system-level involvement. However, though the perseverance of the students brought the mission to fruition, it was only possible through the mentoring and support of professionals in the Aerospace Engineering Sciences Department and CU's Laboratory for Atmospheric and Space Physics.

76 FR 41234 - Advanced Scientific Computing Advisory Committee Charter Renewal

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-13

... Secretariat, General Services Administration, notice is hereby given that the Advanced Scientific Computing... advice and recommendations concerning the Advanced Scientific Computing program in response only to... Advanced Scientific Computing Research program and recommendations based thereon; --Advice on the computing...

[AERA. Dream machines and computing practices at the Mathematical Center].

PubMed

Alberts, Gerard; De Beer, Huub T

2008-01-01

Dream machines may be just as effective as the ones materialised. Their symbolic thrust can be quite powerful. The Amsterdam 'Mathematisch Centrum' (Mathematical Center), founded February 11, 1946, created a Computing Department in an effort to realise its goal of serving society. When Aad van Wijngaarden was appointed as head of the Computing Department, however, he claimed space for scientific research and computer construction, next to computing as a service. Still, the computing service following the five stage style of Hartree's numerical analysis remained a dominant characteristic of the work of the Computing Department. The high level of ambition held by Aad van Wijngaarden lead to ever renewed projections of big automatic computers, symbolised by the never-built AERA. Even a machine that was actually constructed, the ARRA which followed A.D. Booth's design of the ARC, never made it into real operation. It did serve Van Wijngaarden to bluff his way into the computer age by midsummer 1952. Not until January 1954 did the computing department have a working stored program computer, which for reasons of policy went under the same name: ARRA. After just one other machine, the ARMAC, had been produced, a separate company, Electrologica, was set up for the manufacture of computers, which produced the rather successful X1 computer. The combination of ambition and absence of a working machine lead to a high level of work on programming, way beyond the usual ideas of libraries of subroutines. Edsger W. Dijkstra in particular led the way to an emphasis on the duties of the programmer within the pattern of numerical analysis. Programs generating programs, known elsewhere as autocoding systems, were at the 'Mathematisch Centrum' called 'superprograms'. Practical examples were usually called a 'complex', in Dutch, where in English one might say 'system'. Historically, this is where software begins. Dekker's matrix complex, Dijkstra's interrupt system, Dijkstra and Zonneveld's ALGOL compiler--which for housekeeping contained 'the complex'--were actual examples of such super programs. In 1960 this compiler gave the Mathematical Center a leading edge in the early development of software.

Computational Science at the Argonne Leadership Computing Facility

NASA Astrophysics Data System (ADS)

Romero, Nichols

2014-03-01

The goal of the Argonne Leadership Computing Facility (ALCF) is to extend the frontiers of science by solving problems that require innovative approaches and the largest-scale computing systems. ALCF's most powerful computer - Mira, an IBM Blue Gene/Q system - has nearly one million cores. How does one program such systems? What software tools are available? Which scientific and engineering applications are able to utilize such levels of parallelism? This talk will address these questions and describe a sampling of projects that are using ALCF systems in their research, including ones in nanoscience, materials science, and chemistry. Finally, the ways to gain access to ALCF resources will be presented. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357.

Programs for attracting under-represented minority students to graduate school and research careers in computational science. Final report for period October 1, 1995 - September 30, 1997

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

Turner, James C. Jr.; Mason, Thomas; Guerrieri, Bruno

1997-10-01

Programs have been established at Florida A & M University to attract minority students to research careers in mathematics and computational science. The primary goal of the program was to increase the number of such students studying computational science via an interactive multimedia learning environment One mechanism used for meeting this goal was the development of educational modules. This academic year program established within the mathematics department at Florida A&M University, introduced students to computational science projects using high-performance computers. Additional activities were conducted during the summer, these included workshops, meetings, and lectures. Through the exposure provided by this programmore » to scientific ideas and research in computational science, it is likely that their successful applications of tools from this interdisciplinary field will be high.« less

Nonlinear Feedback Controllers and Compensators: A State-Dependent Riccati Equation Approach

DTIC Science & Technology

2003-01-01

Nonlinear Feedback Controllers and Compensators: A State-Dependent Riccati Equation Approach H. T. Banks∗ B. M. Lewis † H. T. Tran‡ Department of...Mathematics Center for Research in Scientific Computation North Carolina State University Raleigh, NC 27695 Abstract State-dependent Riccati equation ...estimating the solution of the Hamilton- Jacobi-Bellman (HJB) equation can be found in a comprehensive review article [5]. Each of these ∗htbanks

Computing through Scientific Abstractions in SysBioPS

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

Chin, George; Stephan, Eric G.; Gracio, Deborah K.

2004-10-13

Today, biologists and bioinformaticists have a tremendous amount of computational power at their disposal. With the availability of supercomputers, burgeoning scientific databases and digital libraries such as GenBank and PubMed, and pervasive computational environments such as the Grid, biologists have access to a wealth of computational capabilities and scientific data at hand. Yet, the rapid development of computational technologies has far exceeded the typical biologist’s ability to effectively apply the technology in their research. Computational sciences research and development efforts such as the Biology Workbench, BioSPICE (Biological Simulation Program for Intra-Cellular Evaluation), and BioCoRE (Biological Collaborative Research Environment) are importantmore » in connecting biologists and their scientific problems to computational infrastructures. On the Computational Cell Environment and Heuristic Entity-Relationship Building Environment projects at the Pacific Northwest National Laboratory, we are jointly developing a new breed of scientific problem solving environment called SysBioPSE that will allow biologists to access and apply computational resources in the scientific research context. In contrast to other computational science environments, SysBioPSE operates as an abstraction layer above a computational infrastructure. The goal of SysBioPSE is to allow biologists to apply computational resources in the context of the scientific problems they are addressing and the scientific perspectives from which they conduct their research. More specifically, SysBioPSE allows biologists to capture and represent scientific concepts and theories and experimental processes, and to link these views to scientific applications, data repositories, and computer systems.« less

Towards prediction of correlated material properties using quantum Monte Carlo methods

NASA Astrophysics Data System (ADS)

Wagner, Lucas

Correlated electron systems offer a richness of physics far beyond noninteracting systems. If we would like to pursue the dream of designer correlated materials, or, even to set a more modest goal, to explain in detail the properties and effective physics of known materials, then accurate simulation methods are required. Using modern computational resources, quantum Monte Carlo (QMC) techniques offer a way to directly simulate electron correlations. I will show some recent results on a few extremely challenging materials including the metal-insulator transition of VO2, the ground state of the doped cuprates, and the pressure dependence of magnetic properties in FeSe. By using a relatively simple implementation of QMC, at least some properties of these materials can be described truly from first principles, without any adjustable parameters. Using the QMC platform, we have developed a way of systematically deriving effective lattice models from the simulation. This procedure is particularly attractive for correlated electron systems because the QMC methods treat the one-body and many-body components of the wave function and Hamiltonian on completely equal footing. I will show some examples of using this downfolding technique and the high accuracy of QMC to connect our intuitive ideas about interacting electron systems with high fidelity simulations. The work in this presentation was supported in part by NSF DMR 1206242, the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing (SciDAC) program under Award Number FG02-12ER46875, and the Center for Emergent Superconductivity, Department of Energy Frontier Research Center under Grant No. DEAC0298CH1088. Computing resources were provided by a Blue Waters Illinois grant and INCITE PhotSuper and SuperMatSim allocations.

Large Scale Computing and Storage Requirements for High Energy Physics

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

Gerber, Richard A.; Wasserman, Harvey

2010-11-24

The National Energy Research Scientific Computing Center (NERSC) is the leading scientific computing facility for the Department of Energy's Office of Science, providing high-performance computing (HPC) resources to more than 3,000 researchers working on about 400 projects. NERSC provides large-scale computing resources and, crucially, the support and expertise needed for scientists to make effective use of them. In November 2009, NERSC, DOE's Office of Advanced Scientific Computing Research (ASCR), and DOE's Office of High Energy Physics (HEP) held a workshop to characterize the HPC resources needed at NERSC to support HEP research through the next three to five years. Themore » effort is part of NERSC's legacy of anticipating users needs and deploying resources to meet those demands. The workshop revealed several key points, in addition to achieving its goal of collecting and characterizing computing requirements. The chief findings: (1) Science teams need access to a significant increase in computational resources to meet their research goals; (2) Research teams need to be able to read, write, transfer, store online, archive, analyze, and share huge volumes of data; (3) Science teams need guidance and support to implement their codes on future architectures; and (4) Projects need predictable, rapid turnaround of their computational jobs to meet mission-critical time constraints. This report expands upon these key points and includes others. It also presents a number of case studies as representative of the research conducted within HEP. Workshop participants were asked to codify their requirements in this case study format, summarizing their science goals, methods of solution, current and three-to-five year computing requirements, and software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, multi-core environment that is expected to dominate HPC architectures over the next few years. The report includes a section that describes efforts already underway or planned at NERSC that address requirements collected at the workshop. NERSC has many initiatives in progress that address key workshop findings and are aligned with NERSC's strategic plans.« less

Computer Center CDC Libraries/NSRDC (Subprograms).

DTIC Science & Technology

1981-02-01

TRANSFORM." COMM, OF THE ACM, VOL, 10, NO. 10, OCTOBER 1967. 3. SYSTEM/360 SCIENTIFIC SUBROUTINE PACKAGE, IBM TECHNICAL PUBLICATONS DEPARTMENT, 1967...VARIABLE 3) UP TO 9 DEPENDENT VARIABLES PER PLOT. FUNCTIONAL CATEGORIES: J5 LANGUAGE: FORTRAN IV USAGE COMMON /PLO/ NRUN, NPLOT, ITP .6), ITY(6), ITX(61...PLO/ NRUN - NUMBER OF THIS RUN iDEFAULT: 1) NPLOT - NUMBER OF PLOT (DEFAULT: 1 ITP - PAGE TITLE (DEFAULT: BLANK) ITY - Y TITLE (DEFAULT: BLANK) ITX - X

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

Bland, Arthur S Buddy; Hack, James J; Baker, Ann E

Oak Ridge National Laboratory's (ORNL's) Cray XT5 supercomputer, Jaguar, kicked off the era of petascale scientific computing in 2008 with applications that sustained more than a thousand trillion floating point calculations per second - or 1 petaflop. Jaguar continues to grow even more powerful as it helps researchers broaden the boundaries of knowledge in virtually every domain of computational science, including weather and climate, nuclear energy, geosciences, combustion, bioenergy, fusion, and materials science. Their insights promise to broaden our knowledge in areas that are vitally important to the Department of Energy (DOE) and the nation as a whole, particularly energymore » assurance and climate change. The science of the 21st century, however, will demand further revolutions in computing, supercomputers capable of a million trillion calculations a second - 1 exaflop - and beyond. These systems will allow investigators to continue attacking global challenges through modeling and simulation and to unravel longstanding scientific questions. Creating such systems will also require new approaches to daunting challenges. High-performance systems of the future will need to be codesigned for scientific and engineering applications with best-in-class communications networks and data-management infrastructures and teams of skilled researchers able to take full advantage of these new resources. The Oak Ridge Leadership Computing Facility (OLCF) provides the nation's most powerful open resource for capability computing, with a sustainable path that will maintain and extend national leadership for DOE's Office of Science (SC). The OLCF has engaged a world-class team to support petascale science and to take a dramatic step forward, fielding new capabilities for high-end science. This report highlights the successful delivery and operation of a petascale system and shows how the OLCF fosters application development teams, developing cutting-edge tools and resources for next-generation systems.« less

GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials

NASA Astrophysics Data System (ADS)

Eisenbach, Markus

The Locally Self-consistent Multiple Scattering (LSMS) code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals, alloys and metallic nano-structures. It has traditionally exhibited near perfect scalability on massively parallel high performance computer architectures. We present our efforts to exploit GPUs to accelerate the LSMS code to enable first principles calculations of O(100,000) atoms and statistical physics sampling of finite temperature properties. Using the Cray XK7 system Titan at the Oak Ridge Leadership Computing Facility we achieve a sustained performance of 14.5PFlop/s and a speedup of 8.6 compared to the CPU only code. This work has been sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Material Sciences and Engineering Division and by the Office of Advanced Scientific Computing. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

Air, Ocean and Climate Monitoring Enhancing Undergraduate Training in the Physical, Environmental and Computer Sciences

NASA Technical Reports Server (NTRS)

Hope, W. W.; Johnson, L. P.; Obl, W.; Stewart, A.; Harris, W. C.; Craig, R. D.

2000-01-01

Faculty in the Department of Physical, Environmental and Computer Sciences strongly believe in the concept that undergraduate research and research-related activities must be integrated into the fabric of our undergraduate Science and Technology curricula. High level skills, such as problem solving, reasoning, collaboration and the ability to engage in research, are learned for advanced study in graduate school or for competing for well paying positions in the scientific community. One goal of our academic programs is to have a pipeline of research activities from high school to four year college, to graduate school, based on the GISS Institute on Climate and Planets model.

Development of a Computer-Assisted Instrumentation Curriculum for Physics Students: Using LabVIEW and Arduino Platform

NASA Astrophysics Data System (ADS)

Kuan, Wen-Hsuan; Tseng, Chi-Hung; Chen, Sufen; Wong, Ching-Chang

2016-06-01

We propose an integrated curriculum to establish essential abilities of computer programming for the freshmen of a physics department. The implementation of the graphical-based interfaces from Scratch to LabVIEW then to LabVIEW for Arduino in the curriculum `Computer-Assisted Instrumentation in the Design of Physics Laboratories' brings rigorous algorithm and syntax protocols together with imagination, communication, scientific applications and experimental innovation. The effectiveness of the curriculum was evaluated via statistical analysis of questionnaires, interview responses, the increase in student numbers majoring in physics, and performance in a competition. The results provide quantitative support that the curriculum remove huge barriers to programming which occur in text-based environments, helped students gain knowledge of programming and instrumentation, and increased the students' confidence and motivation to learn physics and computer languages.

Earth System Grid II, Turning Climate Datasets into Community Resources

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

Middleton, Don

2006-08-01

The Earth System Grid (ESG) II project, funded by the Department of Energy’s Scientific Discovery through Advanced Computing program, has transformed climate data into community resources. ESG II has accomplished this goal by creating a virtual collaborative environment that links climate centers and users around the world to models and data via a computing Grid, which is based on the Department of Energy’s supercomputing resources and the Internet. Our project’s success stems from partnerships between climate researchers and computer scientists to advance basic and applied research in the terrestrial, atmospheric, and oceanic sciences. By interfacing with other climate science projects,more » we have learned that commonly used methods to manage and remotely distribute data among related groups lack infrastructure and under-utilize existing technologies. Knowledge and expertise gained from ESG II have helped the climate community plan strategies to manage a rapidly growing data environment more effectively. Moreover, approaches and technologies developed under the ESG project have impacted datasimulation integration in other disciplines, such as astrophysics, molecular biology and materials science.« less

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

Garzoglio, Gabriele

The Fermilab Grid and Cloud Computing Department and the KISTI Global Science experimental Data hub Center are working on a multi-year Collaborative Research and Development Agreement.With the knowledge developed in the first year on how to provision and manage a federation of virtual machines through Cloud management systems. In this second year, we expanded the work on provisioning and federation, increasing both scale and diversity of solutions, and we started to build on-demand services on the established fabric, introducing the paradigm of Platform as a Service to assist with the execution of scientific workflows. We have enabled scientific workflows ofmore » stakeholders to run on multiple cloud resources at the scale of 1,000 concurrent machines. The demonstrations have been in the areas of (a) Virtual Infrastructure Automation and Provisioning, (b) Interoperability and Federation of Cloud Resources, and (c) On-demand Services for ScientificWorkflows.« less

Construction of Blaze at the University of Illinois at Chicago: A Shared, High-Performance, Visual Computer for Next-Generation Cyberinfrastructure-Accelerated Scientific, Engineering, Medical and Public Policy Research

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

Brown, Maxine D.; Leigh, Jason

2014-02-17

The Blaze high-performance visual computing system serves the high-performance computing research and education needs of University of Illinois at Chicago (UIC). Blaze consists of a state-of-the-art, networked, computer cluster and ultra-high-resolution visualization system called CAVE2(TM) that is currently not available anywhere in Illinois. This system is connected via a high-speed 100-Gigabit network to the State of Illinois' I-WIRE optical network, as well as to national and international high speed networks, such as the Internet2, and the Global Lambda Integrated Facility. This enables Blaze to serve as an on-ramp to national cyberinfrastructure, such as the National Science Foundation’s Blue Waters petascalemore » computer at the National Center for Supercomputing Applications at the University of Illinois at Chicago and the Department of Energy’s Argonne Leadership Computing Facility (ALCF) at Argonne National Laboratory. DOE award # DE-SC005067, leveraged with NSF award #CNS-0959053 for “Development of the Next-Generation CAVE Virtual Environment (NG-CAVE),” enabled us to create a first-of-its-kind high-performance visual computing system. The UIC Electronic Visualization Laboratory (EVL) worked with two U.S. companies to advance their commercial products and maintain U.S. leadership in the global information technology economy. New applications are being enabled with the CAVE2/Blaze visual computing system that is advancing scientific research and education in the U.S. and globally, and help train the next-generation workforce.« less

2009 ALCF annual report.

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

Beckman, P.; Martin, D.; Drugan, C.

2010-11-23

This year the Argonne Leadership Computing Facility (ALCF) delivered nearly 900 million core hours of science. The research conducted at their leadership class facility touched our lives in both minute and massive ways - whether it was studying the catalytic properties of gold nanoparticles, predicting protein structures, or unearthing the secrets of exploding stars. The authors remained true to their vision to act as the forefront computational center in extending science frontiers by solving pressing problems for our nation. Our success in this endeavor was due mainly to the Department of Energy's (DOE) INCITE (Innovative and Novel Computational Impact onmore » Theory and Experiment) program. The program awards significant amounts of computing time to computationally intensive, unclassified research projects that can make high-impact scientific advances. This year, DOE allocated 400 million hours of time to 28 research projects at the ALCF. Scientists from around the world conducted the research, representing such esteemed institutions as the Princeton Plasma Physics Laboratory, National Institute of Standards and Technology, and European Center for Research and Advanced Training in Scientific Computation. Argonne also provided Director's Discretionary allocations for research challenges, addressing such issues as reducing aerodynamic noise, critical for next-generation 'green' energy systems. Intrepid - the ALCF's 557-teraflops IBM Blue/Gene P supercomputer - enabled astounding scientific solutions and discoveries. Intrepid went into full production five months ahead of schedule. As a result, the ALCF nearly doubled the days of production computing available to the DOE Office of Science, INCITE awardees, and Argonne projects. One of the fastest supercomputers in the world for open science, the energy-efficient system uses about one-third as much electricity as a machine of comparable size built with more conventional parts. In October 2009, President Barack Obama recognized the excellence of the entire Blue Gene series by awarding it to the National Medal of Technology and Innovation. Other noteworthy achievements included the ALCF's collaboration with the National Energy Research Scientific Computing Center (NERSC) to examine cloud computing as a potential new computing paradigm for scientists. Named Magellan, the DOE-funded initiative will explore which science application programming models work well within the cloud, as well as evaluate the challenges that come with this new paradigm. The ALCF obtained approval for its next-generation machine, a 10-petaflops system to be delivered in 2012. This system will allow us to resolve ever more pressing problems, even more expeditiously through breakthrough science in the years to come.« less

Dynamic Rate Dependent Elastoplastic Damage Modeling of Concrete Subject to Blast Loading: Formulation and Computational Aspects

DTIC Science & Technology

1990-10-31

and ZIP Code) Dept. of Civil Fng. & Oper. Research Building 410 Princeton University Bolling AFB, D.C. 20332-6448 ?rinceton, NJ 08544 i. NAME OF FUNDING...Department of Civil Engineering & Operations Research Princeton University Princeton, N.J. 08544 31 October 1990 Final Technical Report Approved for public...release; Distribution is unlimited. I Prepared for Air Force Office of Scientific Research Building 410 Boiling AFB, D.C. 20332-6448 PREFACE This work

Brookhaven highlights for fiscal year 1991, October 1, 1990--September 30, 1991

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

Rowe, M.S.; Cohen, A.; Greenberg, D.

1991-12-31

This report highlights Brookhaven National Laboratory`s activities for fiscal year 1991. Topics from the four research divisions: Computing and Communications, Instrumentation, Reactors, and Safety and Environmental Protection are presented. The research programs at Brookhaven are diverse, as is reflected by the nine different scientific departments: Accelerator Development, Alternating Gradient Synchrotron, Applied Science, Biology, Chemistry, Medical, National Synchrotron Light Source, Nuclear Energy, and Physics. Administrative and managerial information about Brookhaven are also disclosed. (GHH)

Brookhaven highlights for fiscal year 1991, October 1, 1990--September 30, 1991

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

Rowe, M.S.; Cohen, A.; Greenberg, D.

1991-01-01

This report highlights Brookhaven National Laboratory's activities for fiscal year 1991. Topics from the four research divisions: Computing and Communications, Instrumentation, Reactors, and Safety and Environmental Protection are presented. The research programs at Brookhaven are diverse, as is reflected by the nine different scientific departments: Accelerator Development, Alternating Gradient Synchrotron, Applied Science, Biology, Chemistry, Medical, National Synchrotron Light Source, Nuclear Energy, and Physics. Administrative and managerial information about Brookhaven are also disclosed. (GHH)

Fragmentation Data Analysis. I. Computer Program for Mass and Number Distributions and Effects of Errors on Mass Distributions

DTIC Science & Technology

1974-11-01

PR(20)aPO(20)#NNC20)aNCC2S)DFOW(28)a 3FOM(90)*SOM(2@)iSOW(20) CALL IFILECI&SIIFRAGS) CALL OFILE(2a5HMENTS) I FORMAT(2A5) 2 FORMAT( F6 *0) 3 FORMAT...Department of National Defence (2 copies) The Director, Defence Scientific Information & Documentation Centre, India Director, Defence Research (entre, Ministry of Derence, Malaysia i; 4 * 4

Special issue on the "Consortium for Advanced Simulation of Light Water Reactors Research and Development Progress"

NASA Astrophysics Data System (ADS)

Turinsky, Paul J.; Martin, William R.

2017-04-01

In this special issue of the Journal of Computational Physics, the research and development completed at the time of manuscript submission by the Consortium for Advanced Simulation of Light Water Reactors (CASL) is presented. CASL is the first of several Energy Innovation Hubs that have been created by the Department of Energy. The Hubs are modeled after the strong scientific management characteristics of the Manhattan Project and AT&T Bell Laboratories, and function as integrated research centers that combine basic and applied research with engineering to accelerate scientific discovery that addresses critical energy issues. Lifetime of a Hub is expected to be five or ten years depending upon performance, with CASL being granted a ten year lifetime.

World Wide Web and Internet: applications for radiologists.

PubMed

Wunderbaldinger, P; Schima, W; Turetschek, K; Helbich, T H; Bankier, A A; Herold, C J

1999-01-01

Global exchange of information is one of the major sources of scientific progress in medicine. For management of the rapidly growing body of medical information, computers and their applications have become an indispensable scientific tool. Approximately 36 million computer users are part of a worldwide network called the Internet or "information highway" and have created a new infrastructure to promote rapid and efficient access to medical, and thus also to radiological, information. With the establishment of the World Wide Web (WWW) by a consortium of computer users who used a standardized, nonproprietary syntax termed HyperText Markup Language (HTML) for composing documents, it has become possible to provide interactive multimedia presentations to a wide audience. The extensive use of images in radiology makes education, worldwide consultation (review) and scientific presentation via the Internet a major beneficiary of this technical development. This is possible, since both information (text) as well as medical images can be transported via the Internet. Presently, the Internet offers an extensive database for radiologists. Since many radiologists and physicians have to be considered "Internet novices" and, hence, cannot yet avail themselves of the broad spectrum of the Internet, the aim of this article is to present a general introduction to the WWW/Internet and its applications for radiologists. All Internet sites mentioned in this article can be found at the following Internet address: http://www.univie.ac. at/radio/radio.html (Department of Radiology, University of Vienna)

First-Principles Thermodynamics Study of Spinel MgAl 2 O 4 Surface Stability

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

Cai, Qiuxia; Wang, Jian-guo; Wang, Yong

The surface stability of all possible terminations for three low-index (111, 110, 100) structures of the spinel MgAl2O4 has been studied using first-principles based thermodynamic approach. The surface Gibbs free energy results indicate that the 100_AlO2 termination is the most stable surface structure under ultra-high vacuum at T=1100 K regardless of Al-poor or Al-rich environment. With increasing oxygen pressure, the 111_O2(Al) termination becomes the most stable surface in the Al-rich environment. The oxygen vacancy formation is thermodynamically favorable over the 100_AlO2, 111_O2(Al) and the (111) structure with Mg/O connected terminations. On the basis of surface Gibbs free energies for bothmore » perfect and defective surface terminations, the 100_AlO2 and 111_O2(Al) are the most dominant surfaces in Al-rich environment under atmospheric condition. This is also consistent with our previously reported experimental observation. This work was supported by a Laboratory Directed Research and Development (LDRD) project of the Pacific Northwest National Laboratory (PNNL). The computing time was granted by the National Energy Research Scientific Computing Center (NERSC). Part of computing time was also granted by a scientific theme user proposal in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at PNNL in Richland, Washington.« less

76 FR 65187 - U.S. Air Force Scientific Advisory Board Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-20

... DEPARTMENT OF DEFENSE Department of the Air Force U.S. Air Force Scientific Advisory Board Notice of Meeting AGENCY: US Air Force Scientific Advisory Board, Department of the Air Force, DoD. ACTION: Meeting Cancellation Notice. SUMMARY: Due to difficulties, beyond the control of the U.S. Air Force...

Performance and economics of residential solar space heating

NASA Astrophysics Data System (ADS)

Zehr, F. J.; Vineyard, T. A.; Barnes, R. W.; Oneal, D. L.

1982-11-01

The performance and economics of residential solar space heating were studied for various locations in the contiguous United States. Common types of active and passive solar heating systems were analyzed with respect to an average-size, single-family house designed to meet or exceed the thermal requirements of the Department of Housing and Urban Development Minimum Property Standards (HUD-MPS). The solar systems were evaluated in seventeen cities to provide a broad range of climatic conditions. Active systems evaluated consist of air and liquid flat plate collectors with single- and double-glazing: passive systems include Trombe wall, water wall, direct gain, and sunspace systems. The active system solar heating performance was computed using the University of Wisconsin's F-CHART computer program. The Los Alamos Scientific Laboratory's Solar Load Ratio (SLR) method was employed to compute solar heating performance for the passive systems. Heating costs were computed with gas, oil, and electricity as backups and as conventional heating system fuels.

Exascale computing and what it means for shock physics

NASA Astrophysics Data System (ADS)

Germann, Timothy

2015-06-01

The U.S. Department of Energy is preparing to launch an Exascale Computing Initiative, to address the myriad challenges required to deploy and effectively utilize an exascale-class supercomputer (i.e., one capable of performing 1018 operations per second) in the 2023 timeframe. Since physical (power dissipation) requirements limit clock rates to at most a few GHz, this will necessitate the coordination of on the order of a billion concurrent operations, requiring sophisticated system and application software, and underlying mathematical algorithms, that may differ radically from traditional approaches. Even at the smaller workstation or cluster level of computation, the massive concurrency and heterogeneity within each processor will impact computational scientists. Through the multi-institutional, multi-disciplinary Exascale Co-design Center for Materials in Extreme Environments (ExMatEx), we have initiated an early and deep collaboration between domain (computational materials) scientists, applied mathematicians, computer scientists, and hardware architects, in order to establish the relationships between algorithms, software stacks, and architectures needed to enable exascale-ready materials science application codes within the next decade. In my talk, I will discuss these challenges, and what it will mean for exascale-era electronic structure, molecular dynamics, and engineering-scale simulations of shock-compressed condensed matter. In particular, we anticipate that the emerging hierarchical, heterogeneous architectures can be exploited to achieve higher physical fidelity simulations using adaptive physics refinement. This work is supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research.

Final Report National Laboratory Professional Development Workshop for Underrepresented Participants

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

Taylor, Valerie

The 2013 CMD-IT National Laboratories Professional Development Workshop for Underrepresented Participants (CMD-IT NLPDev 2013) was held at the Oak Ridge National Laboratory campus in Oak Ridge, TN. from June 13 - 14, 2013. Sponsored by the Department of Energy (DOE) Advanced Scientific Computing Research Program, the primary goal of these workshops is to provide information about career opportunities in computational science at the various national laboratories and to mentor the underrepresented participants through community building and expert presentations focused on career success. This second annual workshop offered sessions to facilitate career advancement and, in particular, the strategies and resources neededmore » to be successful at the national laboratories.« less

NAS Technical Summaries, March 1993 - February 1994

NASA Technical Reports Server (NTRS)

1995-01-01

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1993-94 operational year concluded with 448 high-speed processor projects and 95 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

NAS technical summaries. Numerical aerodynamic simulation program, March 1992 - February 1993

NASA Technical Reports Server (NTRS)

1994-01-01

NASA created the Numerical Aerodynamic Simulation (NAS) Program in 1987 to focus resources on solving critical problems in aeroscience and related disciplines by utilizing the power of the most advanced supercomputers available. The NAS Program provides scientists with the necessary computing power to solve today's most demanding computational fluid dynamics problems and serves as a pathfinder in integrating leading-edge supercomputing technologies, thus benefitting other supercomputer centers in government and industry. The 1992-93 operational year concluded with 399 high-speed processor projects and 91 parallel projects representing NASA, the Department of Defense, other government agencies, private industry, and universities. This document provides a glimpse at some of the significant scientific results for the year.

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem: Mid-year report FY17 Q2

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

Moreland, Kenneth D.; Pugmire, David; Rogers, David

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressingmore » four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.« less

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem: Year-end report FY17.

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

Moreland, Kenneth D.; Pugmire, David; Rogers, David

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressingmore » four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.« less

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem. Mid-year report FY16 Q2

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

Moreland, Kenneth D.; Sewell, Christopher; Childs, Hank

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressingmore » four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.« less

XVis: Visualization for the Extreme-Scale Scientific-Computation Ecosystem: Year-end report FY15 Q4.

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

Moreland, Kenneth D.; Sewell, Christopher; Childs, Hank

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. This project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressingmore » four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis.« less

High Energy Physics Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and High Energy Physics, June 10-12, 2015, Bethesda, Maryland

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

Habib, Salman; Roser, Robert; Gerber, Richard

The U.S. Department of Energy (DOE) Office of Science (SC) Offices of High Energy Physics (HEP) and Advanced Scientific Computing Research (ASCR) convened a programmatic Exascale Requirements Review on June 10–12, 2015, in Bethesda, Maryland. This report summarizes the findings, results, and recommendations derived from that meeting. The high-level findings and observations are as follows. Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude — and in some cases greatermore » — than that available currently. The growth rate of data produced by simulations is overwhelming the current ability of both facilities and researchers to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. Data rates and volumes from experimental facilities are also straining the current HEP infrastructure in its ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. A close integration of high-performance computing (HPC) simulation and data analysis will greatly aid in interpreting the results of HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. Long-range planning between HEP and ASCR will be required to meet HEP’s research needs. To best use ASCR HPC resources, the experimental HEP program needs (1) an established, long-term plan for access to ASCR computational and data resources, (2) the ability to map workflows to HPC resources, (3) the ability for ASCR facilities to accommodate workflows run by collaborations potentially comprising thousands of individual members, (4) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, (5) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.« less

77 FR 22770 - U.S. Air Force Scientific Advisory Board; Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-17

... extended use of Air Force Space Command space-based sensors. In accordance with 5 U.S.C. 552b, as amended... DEPARTMENT OF DEFENSE Department of the Air Force U.S. Air Force Scientific Advisory Board; Notice of Meeting AGENCY: Department of the Air Force, U.S. Air Force Scientific Advisory Board. ACTION...

A Look at the Definition, Pedagogy, and Evaluation of Scientific Literacy within the Natural Science Departments at a Southwestern University

ERIC Educational Resources Information Center

Flynn, Deborah Kay

2011-01-01

This study focuses on the promotion of scientific literacy within the natural science departments and how faculty within these departments define, incorporate, and evaluate scientific literacy in their courses. The researcher examined data from participant interviews, observations, and archival material from courses taught by the participants. The…

A Characterization of an Element of Best Simultaneous Approximation.

DTIC Science & Technology

1983-09-01

space Work Unit Number 3 - Numerical Analysis and Scientific Computing C . R. Category: G.1.2 * Department of Mathematics, Lewis and Clark College...Portland, OR 97219, USA. Sponsored by the United States Army under Contract No. DAAG29-80- C -0041. - ,1I K SIGNIFICANCE AND EXPLANATION A basic problem of...under Contract No. DAAG29-80- C -0041. others, e.g. Goel et.al. [8], ltilman (14], and Phillips et.al. [15], give characterizations in terms of one or

Data management and analysis for the Earth System Grid

NASA Astrophysics Data System (ADS)

Williams, D. N.; Ananthakrishnan, R.; Bernholdt, D. E.; Bharathi, S.; Brown, D.; Chen, M.; Chervenak, A. L.; Cinquini, L.; Drach, R.; Foster, I. T.; Fox, P.; Hankin, S.; Henson, V. E.; Jones, P.; Middleton, D. E.; Schwidder, J.; Schweitzer, R.; Schuler, R.; Shoshani, A.; Siebenlist, F.; Sim, A.; Strand, W. G.; Wilhelmi, N.; Su, M.

2008-07-01

The international climate community is expected to generate hundreds of petabytes of simulation data within the next five to seven years. This data must be accessed and analyzed by thousands of analysts worldwide in order to provide accurate and timely estimates of the likely impact of climate change on physical, biological, and human systems. Climate change is thus not only a scientific challenge of the first order but also a major technological challenge. In order to address this technological challenge, the Earth System Grid Center for Enabling Technologies (ESG-CET) has been established within the U.S. Department of Energy's Scientific Discovery through Advanced Computing (SciDAC)-2 program, with support from the offices of Advanced Scientific Computing Research and Biological and Environmental Research. ESG-CET's mission is to provide climate researchers worldwide with access to the data, information, models, analysis tools, and computational capabilities required to make sense of enormous climate simulation datasets. Its specific goals are to (1) make data more useful to climate researchers by developing Grid technology that enhances data usability; (2) meet specific distributed database, data access, and data movement needs of national and international climate projects; (3) provide a universal and secure web-based data access portal for broad multi-model data collections; and (4) provide a wide-range of Grid-enabled climate data analysis tools and diagnostic methods to international climate centers and U.S. government agencies. Building on the successes of the previous Earth System Grid (ESG) project, which has enabled thousands of researchers to access tens of terabytes of data from a small number of ESG sites, ESG-CET is working to integrate a far larger number of distributed data providers, high-bandwidth wide-area networks, and remote computers in a highly collaborative problem-solving environment.

Designing and Implementing a Computational Methods Course for Upper-level Undergraduates and Postgraduates in Atmospheric and Oceanic Sciences

NASA Astrophysics Data System (ADS)

Nelson, E.; L'Ecuyer, T. S.; Douglas, A.; Hansen, Z.

2017-12-01

In the modern computing age, scientists must utilize a wide variety of skills to carry out scientific research. Programming, including a focus on collaborative development, has become more prevalent in both academic and professional career paths. Faculty in the Department of Atmospheric and Oceanic Sciences at the University of Wisconsin—Madison recognized this need and recently approved a new course offering for undergraduates and postgraduates in computational methods that was first held in Spring 2017. Three programming languages were covered in the inaugural course semester and development themes such as modularization, data wrangling, and conceptual code models were woven into all of the sections. In this presentation, we will share successes and challenges in developing a research project-focused computational course that leverages hands-on computer laboratory learning and open-sourced course content. Improvements and changes in future iterations of the course based on the first offering will also be discussed.

Basic energy sciences: Summary of accomplishments

NASA Astrophysics Data System (ADS)

1990-05-01

For more than four decades, the Department of Energy, including its predecessor agencies, has supported a program of basic research in nuclear- and energy related sciences, known as Basic Energy Sciences. The purpose of the program is to explore fundamental phenomena, create scientific knowledge, and provide unique user facilities necessary for conducting basic research. Its technical interests span the range of scientific disciplines: physical and biological sciences, geological sciences, engineering, mathematics, and computer sciences. Its products and facilities are essential to technology development in many of the more applied areas of the Department's energy, science, and national defense missions. The accomplishments of Basic Energy Sciences research are numerous and significant. Not only have they contributed to Departmental missions, but have aided significantly the development of technologies which now serve modern society daily in business, industry, science, and medicine. In a series of stories, this report highlights 22 accomplishments, selected because of their particularly noteworthy contributions to modern society. A full accounting of all the accomplishments would be voluminous. Detailed documentation of the research results can be found in many thousands of articles published in peer-reviewed technical literature.

Basic Energy Sciences: Summary of Accomplishments

DOE R&D Accomplishments Database

1990-05-01

For more than four decades, the Department of Energy, including its predecessor agencies, has supported a program of basic research in nuclear- and energy-related sciences, known as Basic Energy Sciences. The purpose of the program is to explore fundamental phenomena, create scientific knowledge, and provide unique user'' facilities necessary for conducting basic research. Its technical interests span the range of scientific disciplines: physical and biological sciences, geological sciences, engineering, mathematics, and computer sciences. Its products and facilities are essential to technology development in many of the more applied areas of the Department's energy, science, and national defense missions. The accomplishments of Basic Energy Sciences research are numerous and significant. Not only have they contributed to Departmental missions, but have aided significantly the development of technologies which now serve modern society daily in business, industry, science, and medicine. In a series of stories, this report highlights 22 accomplishments, selected because of their particularly noteworthy contributions to modern society. A full accounting of all the accomplishments would be voluminous. Detailed documentation of the research results can be found in many thousands of articles published in peer-reviewed technical literature.

Lattice QCD Calculations in Nuclear Physics towards the Exascale

NASA Astrophysics Data System (ADS)

Joo, Balint

2017-01-01

The combination of algorithmic advances and new highly parallel computing architectures are enabling lattice QCD calculations to tackle ever more complex problems in nuclear physics. In this talk I will review some computational challenges that are encountered in large scale cold nuclear physics campaigns such as those in hadron spectroscopy calculations. I will discuss progress in addressing these with algorithmic improvements such as multi-grid solvers and software for recent hardware architectures such as GPUs and Intel Xeon Phi, Knights Landing. Finally, I will highlight some current topics for research and development as we head towards the Exascale era This material is funded by the U.S. Department of Energy, Office Of Science, Offices of Nuclear Physics, High Energy Physics and Advanced Scientific Computing Research, as well as the Office of Nuclear Physics under contract DE-AC05-06OR23177.

Using SIR (Scientific Information Retrieval System) for data management during a field program

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

Tichler, J.L.

As part of the US Department of Energy's program, PRocessing of Emissions by Clouds and Precipitation (PRECP), a team of scientists from four laboratories conducted a study in north central New York State, to characterize the chemical and physical processes occurring in winter storms. Sampling took place from three aircraft, two instrumented motor homes and a network of 26 surface precipitation sampling sites. Data management personnel were part of the field program, using a portable IBM PC-AT computer to enter information as it became available during the field study. Having the same database software on the field computer and onmore » the cluster of VAX 11/785 computers in use aided database development and the transfer of data between machines. 2 refs., 3 figs., 5 tabs.« less

Scientific integrity - Recent Department of the Interior policies, codes, and their implementation

USGS Publications Warehouse

Thornhill, Alan D.; Coleman, Richard; Gunderson, Linda C.

2017-01-01

Established on January 28, 2011, the Department of Interior's (DOI’s) Scientific and Scholarly Integrity Policy was the first federal agency policy to respond to the Presidential Memorandum on Scientific Integrity (March 9, 2009) and guidance issued by the Office of Science and Technology Policy Memorandum on Scientific Integrity (December 17, 2010). The increasingly important role of science in DOI decision making and heightened awareness of science integrity issues across the science enterprise provided impetus for making this policy a priority and for incorporating it into the DOI Departmental Manual (Part 305: Chapter 3). This paper discusses the history of scientific integrity in the DOI, the key provisions of the first Department-wide policy and its implementation, and the subsequent revision of the policy. During the first 4 years of implementing the scientific integrity policy, the Department received 35 formal complaints. As of March 31, 2015, only two formal scientific integrity complaints resulted in “warranted determinations,” while the other complaints were closed and dismissed as “not warranted.” Based on the experience of the first three years of implementation (2011-2014), the Department policy was revised on December 16, 2014.

Scientific Services on the Cloud

NASA Astrophysics Data System (ADS)

Chapman, David; Joshi, Karuna P.; Yesha, Yelena; Halem, Milt; Yesha, Yaacov; Nguyen, Phuong

Scientific Computing was one of the first every applications for parallel and distributed computation. To this date, scientific applications remain some of the most compute intensive, and have inspired creation of petaflop compute infrastructure such as the Oak Ridge Jaguar and Los Alamos RoadRunner. Large dedicated hardware infrastructure has become both a blessing and a curse to the scientific community. Scientists are interested in cloud computing for much the same reason as businesses and other professionals. The hardware is provided, maintained, and administrated by a third party. Software abstraction and virtualization provide reliability, and fault tolerance. Graduated fees allow for multi-scale prototyping and execution. Cloud computing resources are only a few clicks away, and by far the easiest high performance distributed platform to gain access to. There may still be dedicated infrastructure for ultra-scale science, but the cloud can easily play a major part of the scientific computing initiative.

Center for Center for Technology for Advanced Scientific Component Software (TASCS)

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

Kostadin, Damevski

A resounding success of the Scientific Discovery through Advanced Computing (SciDAC) program is that high-performance computational science is now universally recognized as a critical aspect of scientific discovery [71], complementing both theoretical and experimental research. As scientific communities prepare to exploit unprecedented computing capabilities of emerging leadership-class machines for multi-model simulations at the extreme scale [72], it is more important than ever to address the technical and social challenges of geographically distributed teams that combine expertise in domain science, applied mathematics, and computer science to build robust and flexible codes that can incorporate changes over time. The Center for Technologymore » for Advanced Scientific Component Software (TASCS)1 tackles these these issues by exploiting component-based software development to facilitate collaborative high-performance scientific computing.« less

Computational Science: A Research Methodology for the 21st Century

NASA Astrophysics Data System (ADS)

Orbach, Raymond L.

2004-03-01

Computational simulation - a means of scientific discovery that employs computer systems to simulate a physical system according to laws derived from theory and experiment - has attained peer status with theory and experiment. Important advances in basic science are accomplished by a new "sociology" for ultrascale scientific computing capability (USSCC), a fusion of sustained advances in scientific models, mathematical algorithms, computer architecture, and scientific software engineering. Expansion of current capabilities by factors of 100 - 1000 open up new vistas for scientific discovery: long term climatic variability and change, macroscopic material design from correlated behavior at the nanoscale, design and optimization of magnetic confinement fusion reactors, strong interactions on a computational lattice through quantum chromodynamics, and stellar explosions and element production. The "virtual prototype," made possible by this expansion, can markedly reduce time-to-market for industrial applications such as jet engines and safer, more fuel efficient cleaner cars. In order to develop USSCC, the National Energy Research Scientific Computing Center (NERSC) announced the competition "Innovative and Novel Computational Impact on Theory and Experiment" (INCITE), with no requirement for current DOE sponsorship. Fifty nine proposals for grand challenge scientific problems were submitted for a small number of awards. The successful grants, and their preliminary progress, will be described.

Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

NASA Astrophysics Data System (ADS)

Tubman, Norm; Whaley, Birgitta

The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

XVIS: Visualization for the Extreme-Scale Scientific-Computation Ecosystem Final Scientific/Technical Report

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

Geveci, Berk; Maynard, Robert

The XVis project brings together the key elements of research to enable scientific discovery at extreme scale. Scientific computing will no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/O limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. The XVis project brought together collaborators from predominant DOE projects for visualization on accelerators and combining their respectivemore » features into a new visualization toolkit called VTK-m.« less

Copyrighted Software | OSTI, US Dept of Energy Office of Scientific and

Science.gov Websites

Technical Information Skip to main content Scientific and Technical Information Program The home of the U.S. Department of Energy's Scientific and Technical Information Program (STIP) Here you Energy U.S. Department of Energy Office of Science Office of Scientific and Technical information Website

Contact Us | OSTI, US Dept of Energy Office of Scientific and Technical

Science.gov Websites

Information Skip to main content Scientific and Technical Information Program The home of the U.S. Department of Energy's Scientific and Technical Information Program (STIP) Here you will find MAIL TO: U.S. Department of Energy Office of Scientific and Technical Information ATTN: STIP P.O. Box

Data management and its role in delivering science at DOE BES user facilities - Past, Present, and Future

NASA Astrophysics Data System (ADS)

Miller, Stephen D.; Herwig, Kenneth W.; Ren, Shelly; Vazhkudai, Sudharshan S.; Jemian, Pete R.; Luitz, Steffen; Salnikov, Andrei A.; Gaponenko, Igor; Proffen, Thomas; Lewis, Paul; Green, Mark L.

2009-07-01

The primary mission of user facilities operated by Basic Energy Sciences under the Department of Energy is to produce data for users in support of open science and basic research [1]. We trace back almost 30 years of history across selected user facilities illustrating the evolution of facility data management practices and how these practices have related to performing scientific research. The facilities cover multiple techniques such as X-ray and neutron scattering, imaging and tomography sciences. Over time, detector and data acquisition technologies have dramatically increased the ability to produce prolific volumes of data challenging the traditional paradigm of users taking data home upon completion of their experiments to process and publish their results. During this time, computing capacity has also increased dramatically, though the size of the data has grown significantly faster than the capacity of one's laptop to manage and process this new facility produced data. Trends indicate that this will continue to be the case for yet some time. Thus users face a quandary for how to manage today's data complexity and size as these may exceed the computing resources users have available to themselves. This same quandary can also stifle collaboration and sharing. Realizing this, some facilities are already providing web portal access to data and computing thereby providing users access to resources they need [2]. Portal based computing is now driving researchers to think about how to use the data collected at multiple facilities in an integrated way to perform their research, and also how to collaborate and share data. In the future, inter-facility data management systems will enable next tier cross-instrument-cross facility scientific research fuelled by smart applications residing upon user computer resources. We can learn from the medical imaging community that has been working since the early 1990's to integrate data from across multiple modalities to achieve better diagnoses [3] - similarly, data fusion across BES facilities will lead to new scientific discoveries.

Joint the Center for Applied Scientific Computing

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

Gamblin, Todd; Bremer, Timo; Van Essen, Brian

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

78 FR 41046 - Advanced Scientific Computing Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-09

... Services Administration, notice is hereby given that the Advanced Scientific Computing Advisory Committee will be renewed for a two-year period beginning on July 1, 2013. The Committee will provide advice to the Director, Office of Science (DOE), on the Advanced Scientific Computing Research Program managed...

Understanding the seismic wave propagation inside and around an underground cavity from a 3D numerical survey

NASA Astrophysics Data System (ADS)

Esterhazy, Sofi; Schneider, Felix; Perugia, Ilaria; Bokelmann, Götz

2017-04-01

Motivated by the need to detect an underground cavity within the procedure of an On-Site-Inspection (OSI) of the Comprehensive Nuclear Test Ban Treaty Organization (CTBTO), which might be caused by a nuclear explosion/weapon testing, we aim to provide a basic numerical study of the wave propagation around and inside such an underground cavity. One method to investigate the geophysical properties of an underground cavity allowed by the Comprehensive Nuclear-test Ban Treaty is referred to as "resonance seismometry" - a resonance method that uses passive or active seismic techniques, relying on seismic cavity vibrations. This method is in fact not yet entirely determined by the Treaty and so far, there are only very few experimental examples that have been suitably documented to build a proper scientific groundwork. This motivates to investigate this problem on a purely numerical level and to simulate these events based on recent advances in numerical modeling of wave propagation problems. Our numerical study includes the full elastic wave field in three dimensions. We consider the effects from an incoming plane wave as well as point source located in the surrounding of the cavity at the surface. While the former can be considered as passive source like a tele-seismic earthquake, the latter represents a man-made explosion or a viborseis as used for/in active seismic techniques. Further we want to demonstrate the specific characteristics of the scattered wave field from a P-waves and S-wave separately. For our simulations in 3D we use the discontinuous Galerkin Spectral Element Code SPEED developed by MOX (The Laboratory for Modeling and Scientific Computing, Department of Mathematics) and DICA (Department of Civil and Environmental Engineering) at the Politecnico di Milano. The computations are carried out on the Vienna Scientific Cluster (VSC). The accurate numerical modeling can facilitate the development of proper analysis techniques to detect the remnants of an underground nuclear test, help to set a rigorous scientific base of OSI and contribute to bringing the Treaty into force.

Whole earth modeling: developing and disseminating scientific software for computational geophysics.

NASA Astrophysics Data System (ADS)

Kellogg, L. H.

2016-12-01

Historically, a great deal of specialized scientific software for modeling and data analysis has been developed by individual researchers or small groups of scientists working on their own specific research problems. As the magnitude of available data and computer power has increased, so has the complexity of scientific problems addressed by computational methods, creating both a need to sustain existing scientific software, and expand its development to take advantage of new algorithms, new software approaches, and new computational hardware. To that end, communities like the Computational Infrastructure for Geodynamics (CIG) have been established to support the use of best practices in scientific computing for solid earth geophysics research and teaching. Working as a scientific community enables computational geophysicists to take advantage of technological developments, improve the accuracy and performance of software, build on prior software development, and collaborate more readily. The CIG community, and others, have adopted an open-source development model, in which code is developed and disseminated by the community in an open fashion, using version control and software repositories like Git. One emerging issue is how to adequately identify and credit the intellectual contributions involved in creating open source scientific software. The traditional method of disseminating scientific ideas, peer reviewed publication, was not designed for review or crediting scientific software, although emerging publication strategies such software journals are attempting to address the need. We are piloting an integrated approach in which authors are identified and credited as scientific software is developed and run. Successful software citation requires integration with the scholarly publication and indexing mechanisms as well, to assign credit, ensure discoverability, and provide provenance for software.

Laboratory directed research and development fy1999 annual report

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

Al-Ayat, R A

2000-04-11

The Lawrence Livermore National Laboratory (LLNL) was founded in 1952 and has been managed since its inception by the University of California (UC) for the U.S. Department of Energy (DOE). Because of this long association with UC, the Laboratory has been able to recruit a world-class workforce, establish an atmosphere of intellectual freedom and innovation, and achieve recognition in relevant fields of knowledge as a scientific and technological leader. This environment and reputation are essential for sustained scientific and technical excellence. As a DOE national laboratory with about 7,000 employees, LLNL has an essential and compelling primary mission to ensuremore » that the nation's nuclear weapons remain safe, secure, and reliable and to prevent the spread and use of nuclear weapons worldwide. The Laboratory receives funding from the DOE Assistant Secretary for Defense Programs, whose focus is stewardship of our nuclear weapons stockpile. Funding is also provided by the Deputy Administrator for Defense Nuclear Nonproliferation, many Department of Defense sponsors, other federal agencies, and the private sector. As a multidisciplinary laboratory, LLNL has applied its considerable skills in high-performance computing, advanced engineering, and the management of large research and development projects to become the science and technology leader in those areas of its mission responsibility. The Laboratory Directed Research and Development (LDRD) Program was authorized by the U.S. Congress in 1984. The Program allows the Director of each DOE laboratory to fund advanced, creative, and innovative research and development (R&D) activities that will ensure scientific and technical vitality in the continually evolving mission areas at DOE and the Laboratory. In addition, the LDRD Program provides LLNL with the flexibility to nurture and enrich essential scientific and technical competencies, which attract the most qualified scientists and engineers. The LDRD Program also enables many collaborations with the scientific community in academia, national and international laboratories, and industry. The projects in the FY1999 LDRD portfolio were carefully selected to continue vigorous support of the strategic vision and the long-term goals of DOE and the Laboratory. Projects chosen for LDRD funding undergo stringent selection processes, which look for high-potential scientific return, emphasize strategic relevance, and feature technical peer reviews by external and internal experts. The FY1999 projects described in this annual report focus on supporting the Laboratory's national security needs: stewardship of the U.S. nuclear weapons stockpile, responsibility for the counter- and nonproliferation of weapons of mass destruction, development of high-performance computing, and support of DOE environmental research and waste management programs. In the past, LDRD investments have significantly enhanced LLNL scientific capabilities and greatly contributed to the Laboratory's ability to meet its national security programmatic requirements. Examples of past investments include technical precursors to the Accelerated Strategic Computing Initiative (ASCI), special-materials processing and characterization, and biodefense. Our analysis of the FY1999 portfolio shows that it strongly supports the Laboratory's national security mission. About 95% of the LDRD dollars have directly supported LLNL's national security activities in FY1999, which far exceeds the portion of LLNL's overall budget supported by National Security Programs, which is 63% for FY1999.« less

Integrating Data Base into the Elementary School Science Program.

ERIC Educational Resources Information Center

Schlenker, Richard M.

This document describes seven science activities that combine scientific principles and computers. The objectives for the activities are to show students how the computer can be used as a tool to store and arrange scientific data, provide students with experience using the computer as a tool to manage scientific data, and provide students with…

Continued multidisciplinary project-based learning - implementation in health informatics.

PubMed

Wessel, C; Spreckelsen, C

2009-01-01

Problem- and project-based learning are approved methods to train students, graduates and post-graduates in scientific and other professional skills. The students are trained on realistic scenarios in a broader context. For students specializing in health informatics we introduced continued multidisciplinary project-based learning (CM-PBL) at a department of medical informatics. The training approach addresses both students of medicine and students of computer science. The students are full members of an ongoing research project and develop a project-related application or module, or explore or evaluate a sub-project. Two teachers guide and review the students' work. The training on scientific work follows a workflow with defined milestones. The team acts as peer group. By participating in the research team's work the students are trained on professional skills. A research project on a web-based information system on hospitals built the scenario for the realistic context. The research team consisted of up to 14 active members at a time, who were scientists and students of computer science and medicine. The well communicated educational approach and team policy fostered the participation of the students. Formative assessment and evaluation showed a considerable improvement of the students' skills and a high participant satisfaction. Alternative education approaches such as project-based learning empower students to acquire scientific knowledge and professional skills, especially the ability of life-long learning, multidisciplinary team work and social responsibility.

Computer networks for financial activity management, control and statistics of databases of economic administration at the Joint Institute for Nuclear Research

NASA Astrophysics Data System (ADS)

Tyupikova, T. V.; Samoilov, V. N.

2003-04-01

Modern information technologies urge natural sciences to further development. But it comes together with evaluation of infrastructures, to spotlight favorable conditions for the development of science and financial base in order to prove and protect legally new research. Any scientific development entails accounting and legal protection. In the report, we consider a new direction in software, organization and control of common databases on the example of the electronic document handling, which functions in some departments of the Joint Institute for Nuclear Research.

A high performance scientific cloud computing environment for materials simulations

NASA Astrophysics Data System (ADS)

Jorissen, K.; Vila, F. D.; Rehr, J. J.

2012-09-01

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several materials science codes, together with essential interface tools (an SCC toolset) that offers functionality comparable to local compute clusters. In particular, our SCC toolset provides automatic creation of virtual clusters for parallel computing, including tools for execution and monitoring performance, as well as efficient I/O utilities that enable seamless connections to and from the cloud. Our SCC platform is optimized for the Amazon Elastic Compute Cloud (EC2). We present benchmarks for prototypical scientific applications and demonstrate performance comparable to local compute clusters. To facilitate code execution and provide user-friendly access, we have also integrated cloud computing capability in a JAVA-based GUI. Our SCC platform may be an alternative to traditional HPC resources for materials science or quantum chemistry applications.

Dehydration of 1-octadecanol over H-BEA: A combined experimental and computational study

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

Song, Wenji; Liu, Yuanshuai; Barath, Eszter

Liquid phase dehydration of 1-octdecanol, which is intermediately formed during the hydrodeoxygenation of microalgae oil, has been explored in a combined experimental and computational study. The alkyl chain of C18 alcohol interacts with acid sites during diffusion inside the zeolite pores, resulting in an inefficient utilization of the Brønsted acid sites for samples with high acid site concentrations. The parallel intra- and inter- molecular dehydration pathways having different activation energies pass through alternative reaction intermediates. Formation of surface-bound alkoxide species is the rate-limiting step during intramolecular dehydration, whereas intermolecular dehydration proceeds via a bulky dimer intermediate. Octadecene is the primarymore » dehydration product over H-BEA at 533 K. Despite of the main contribution of Brønsted acid sites towards both dehydration pathways, Lewis acid sites are also active in the formation of dioctadecyl ether. The intramolecular dehydration to octadecene and cleavage of the intermediately formed ether, however, require strong BAS. L. Wang, D. Mei and J. A. Lercher, acknowledge the partial support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE’s Office of Biological and Environmental Research.« less

Constructing Scientific Arguments Using Evidence from Dynamic Computational Climate Models

ERIC Educational Resources Information Center

Pallant, Amy; Lee, Hee-Sun

2015-01-01

Modeling and argumentation are two important scientific practices students need to develop throughout school years. In this paper, we investigated how middle and high school students (N = 512) construct a scientific argument based on evidence from computational models with which they simulated climate change. We designed scientific argumentation…

Parallel processing for scientific computations

NASA Technical Reports Server (NTRS)

Alkhatib, Hasan S.

1995-01-01

The scope of this project dealt with the investigation of the requirements to support distributed computing of scientific computations over a cluster of cooperative workstations. Various experiments on computations for the solution of simultaneous linear equations were performed in the early phase of the project to gain experience in the general nature and requirements of scientific applications. A specification of a distributed integrated computing environment, DICE, based on a distributed shared memory communication paradigm has been developed and evaluated. The distributed shared memory model facilitates porting existing parallel algorithms that have been designed for shared memory multiprocessor systems to the new environment. The potential of this new environment is to provide supercomputing capability through the utilization of the aggregate power of workstations cooperating in a cluster interconnected via a local area network. Workstations, generally, do not have the computing power to tackle complex scientific applications, making them primarily useful for visualization, data reduction, and filtering as far as complex scientific applications are concerned. There is a tremendous amount of computing power that is left unused in a network of workstations. Very often a workstation is simply sitting idle on a desk. A set of tools can be developed to take advantage of this potential computing power to create a platform suitable for large scientific computations. The integration of several workstations into a logical cluster of distributed, cooperative, computing stations presents an alternative to shared memory multiprocessor systems. In this project we designed and evaluated such a system.

Alliance for Computational Science Collaboration HBCU Partnership at Fisk University. Final Report 2001

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

Collins, W. E.

2004-08-16

Computational Science plays a big role in research and development in mathematics, science, engineering and biomedical disciplines. The Alliance for Computational Science Collaboration (ACSC) has the goal of training African-American and other minority scientists in the computational science field for eventual employment with the Department of Energy (DOE). The involvements of Historically Black Colleges and Universities (HBCU) in the Alliance provide avenues for producing future DOE African-American scientists. Fisk University has been participating in this program through grants from the DOE. The DOE grant supported computational science activities at Fisk University. The research areas included energy related projects, distributed computing,more » visualization of scientific systems and biomedical computing. Students' involvement in computational science research included undergraduate summer research at Oak Ridge National Lab, on-campus research involving the participation of undergraduates, participation of undergraduate and faculty members in workshops, and mentoring of students. These activities enhanced research and education in computational science, thereby adding to Fisk University's spectrum of research and educational capabilities. Among the successes of the computational science activities are the acceptance of three undergraduate students to graduate schools with full scholarships beginning fall 2002 (one for master degree program and two for Doctoral degree program).« less

Computer Simulation for Emergency Incident Management

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

Brown, D L

2004-12-03

This report describes the findings and recommendations resulting from the Department of Homeland Security (DHS) Incident Management Simulation Workshop held by the DHS Advanced Scientific Computing Program in May 2004. This workshop brought senior representatives of the emergency response and incident-management communities together with modeling and simulation technologists from Department of Energy laboratories. The workshop provided an opportunity for incident responders to describe the nature and substance of the primary personnel roles in an incident response, to identify current and anticipated roles of modeling and simulation in support of incident response, and to begin a dialog between the incident responsemore » and simulation technology communities that will guide and inform planned modeling and simulation development for incident response. This report provides a summary of the discussions at the workshop as well as a summary of simulation capabilities that are relevant to incident-management training, and recommendations for the use of simulation in both incident management and in incident management training, based on the discussions at the workshop. In addition, the report discusses areas where further research and development will be required to support future needs in this area.« less

Proactive health computing.

PubMed

Timpka, T

2001-08-01

In an analysis departing from the global health situation, the foundation for a change of paradigm in health informatics based on socially embedded information infrastructures and technologies is identified and discussed. It is shown how an increasing computing and data transmitting capacity can be employed for proactive health computing. As a foundation for ubiquitous health promotion and prevention of disease and injury, proactive health systems use data from multiple sources to supply individuals and communities evidence-based information on means to improve their state of health and avoid health risks. The systems are characterised by: (1) being profusely connected to the world around them, using perceptual interfaces, sensors and actuators; (2) responding to external stimuli at faster than human speeds; (3) networked feedback loops; and (4) humans remaining in control, while being left outside the primary computing loop. The extended scientific mission of this new partnership between computer science, electrical engineering and social medicine is suggested to be the investigation of how the dissemination of information and communication technology on democratic grounds can be made even more important for global health than sanitation and urban planning became a century ago.

Analysis Report for Exascale Storage Requirements for Scientific Data.

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

Ruwart, Thomas M.

Over the next 10 years, the Department of Energy will be transitioning from Petascale to Exascale Computing resulting in data storage, networking, and infrastructure requirements to increase by three orders of magnitude. The technologies and best practices used today are the result of a relatively slow evolution of ancestral technologies developed in the 1950s and 1960s. These include magnetic tape, magnetic disk, networking, databases, file systems, and operating systems. These technologies will continue to evolve over the next 10 to 15 years on a reasonably predictable path. Experience with the challenges involved in transitioning these fundamental technologies from Terascale tomore » Petascale computing systems has raised questions about how these will scale another 3 or 4 orders of magnitude to meet the requirements imposed by Exascale computing systems. This report is focused on the most concerning scaling issues with data storage systems as they relate to High Performance Computing- and presents options for a path forward. Given the ability to store exponentially increasing amounts of data, far more advanced concepts and use of metadata will be critical to managing data in Exascale computing systems.« less

Introduction to the LaRC central scientific computing complex

NASA Technical Reports Server (NTRS)

Shoosmith, John N.

1993-01-01

The computers and associated equipment that make up the Central Scientific Computing Complex of the Langley Research Center are briefly described. The electronic networks that provide access to the various components of the complex and a number of areas that can be used by Langley and contractors staff for special applications (scientific visualization, image processing, software engineering, and grid generation) are also described. Flight simulation facilities that use the central computers are described. Management of the complex, procedures for its use, and available services and resources are discussed. This document is intended for new users of the complex, for current users who wish to keep appraised of changes, and for visitors who need to understand the role of central scientific computers at Langley.

OMPC: an Open-Source MATLAB®-to-Python Compiler

PubMed Central

Jurica, Peter; van Leeuwen, Cees

2008-01-01

Free access to scientific information facilitates scientific progress. Open-access scientific journals are a first step in this direction; a further step is to make auxiliary and supplementary materials that accompany scientific publications, such as methodological procedures and data-analysis tools, open and accessible to the scientific community. To this purpose it is instrumental to establish a software base, which will grow toward a comprehensive free and open-source language of technical and scientific computing. Endeavors in this direction are met with an important obstacle. MATLAB®, the predominant computation tool in many fields of research, is a closed-source commercial product. To facilitate the transition to an open computation platform, we propose Open-source MATLAB®-to-Python Compiler (OMPC), a platform that uses syntax adaptation and emulation to allow transparent import of existing MATLAB® functions into Python programs. The imported MATLAB® modules will run independently of MATLAB®, relying on Python's numerical and scientific libraries. Python offers a stable and mature open source platform that, in many respects, surpasses commonly used, expensive commercial closed source packages. The proposed software will therefore facilitate the transparent transition towards a free and general open-source lingua franca for scientific computation, while enabling access to the existing methods and algorithms of technical computing already available in MATLAB®. OMPC is available at http://ompc.juricap.com. PMID:19225577

Scientific Computing Paradigm

NASA Technical Reports Server (NTRS)

VanZandt, John

1994-01-01

The usage model of supercomputers for scientific applications, such as computational fluid dynamics (CFD), has changed over the years. Scientific visualization has moved scientists away from looking at numbers to looking at three-dimensional images, which capture the meaning of the data. This change has impacted the system models for computing. This report details the model which is used by scientists at NASA's research centers.

Commentary: Considerations in Pedagogy and Assessment in the Use of Computers to Promote Learning about Scientific Models

ERIC Educational Resources Information Center

Adams, Stephen T.

2004-01-01

Although one role of computers in science education is to help students learn specific science concepts, computers are especially intriguing as a vehicle for fostering the development of epistemological knowledge about the nature of scientific knowledge--what it means to "know" in a scientific sense (diSessa, 1985). In this vein, the…

High-End Scientific Computing

EPA Pesticide Factsheets

EPA uses high-end scientific computing, geospatial services and remote sensing/imagery analysis to support EPA's mission. The Center for Environmental Computing (CEC) assists the Agency's program offices and regions to meet staff needs in these areas.

Study of Scientific Production of Community Medicines' Department Indexed in ISI Citation Databases.

PubMed

Khademloo, Mohammad; Khaseh, Ali Akbar; Siamian, Hasan; Aligolbandi, Kobra; Latifi, Mahsoomeh; Yaminfirooz, Mousa

2016-10-01

In the scientometric, the main criterion in determining the scientific position and ranking of the scientific centers, particularly the universities, is the rate of scientific production and innovation, and in all participations in the global scientific development. One of the subjects more involved in repeatedly dealt with science and technology and effective on the improvement of health is medical science fields. In this research using scientometric and citation analysis, we studied the rate of scientific productions in the field of community medicine, which is the numbers of articles published and indexed in ISI database from 2000 to 2010. This study is scientometric using the survey and analytical citation. The study samples included all of the articles in the ISI database from 2000 to 2010. For the data collection, the advance method of searching was used at the ISI database. The ISI analyses software and descriptive statistics were used for data analysis. Results showed that among the five top universities in producing documents, Tehran University of Medical Sciences with 88 (22.22%) documents are allocated to the first rank of scientific products. M. Askarian with 36 (90/9%) published documents; most of the scientific outputs in Community medicine, in the international arena is the most active author in this field. In collaboration with other writers, Iranian departments of Community Medicine with 27 published articles have the greatest participation with scholars of English authors. In the process of scientific outputs, the results showed that the scientific process was in its lowest in the years 2000 to 2004, and while the department of Community medicine in 2009 allocated most of the production process to itself. Iranian Journal of Public Health and Saudi Medical Journal each of them had 16 articles which had most participation rate in the publishing of community medicine's department. On the type of carrier, community medicine's department by presentation of 340(85.86%) articles had presented most of their scientific productions in the format of article, also in the field of community medicine outputs, article entitled: "Iron loading and erythrophagocytosis increase ferroportin 1 (FPN1) expression in J774 macrophages"(1) with 81 citations ranked first in cited articles. Subject areas of occupational health with 70 articles and subject areas of general medicine with 69 articles ranked the most active research areas in the Production of community medicine's department. the obtained data showed the much growth of scientific production. The Tehran University of medical Sciences ranked the first in publishing articles in community medicine's department and with most collaboration with community medicine department of England writers in this field and most writers will present their works in paper format.

Study of Scientific Production of Community Medicines’ Department Indexed in ISI Citation Databases

PubMed Central

Khademloo, Mohammad; Khaseh, Ali Akbar; Siamian, Hasan; Aligolbandi, Kobra; Latifi, Mahsoomeh; Yaminfirooz, Mousa

2016-01-01

Background: In the scientometric, the main criterion in determining the scientific position and ranking of the scientific centers, particularly the universities, is the rate of scientific production and innovation, and in all participations in the global scientific development. One of the subjects more involved in repeatedly dealt with science and technology and effective on the improvement of health is medical science fields. In this research using scientometric and citation analysis, we studied the rate of scientific productions in the field of community medicine, which is the numbers of articles published and indexed in ISI database from 2000 to 2010. Methods: This study is scientometric using the survey and analytical citation. The study samples included all of the articles in the ISI database from 2000 to 2010. For the data collection, the advance method of searching was used at the ISI database. The ISI analyses software and descriptive statistics were used for data analysis. Results: Results showed that among the five top universities in producing documents, Tehran University of Medical Sciences with 88 (22.22%) documents are allocated to the first rank of scientific products. M. Askarian with 36 (90/9%) published documents; most of the scientific outputs in Community medicine, in the international arena is the most active author in this field. In collaboration with other writers, Iranian departments of Community Medicine with 27 published articles have the greatest participation with scholars of English authors. In the process of scientific outputs, the results showed that the scientific process was in its lowest in the years 2000 to 2004, and while the department of Community medicine in 2009 allocated most of the production process to itself. Iranian Journal of Public Health and Saudi Medical Journal each of them had 16 articles which had most participation rate in the publishing of community medicine’s department. On the type of carrier, community medicine’s department by presentation of 340(85.86%) articles had presented most of their scientific productions in the format of article, also in the field of community medicine outputs, article entitled: “Iron loading and erythrophagocytosis increase ferroportin 1 (FPN1) expression in J774 macrophages”(1) with 81 citations ranked first in cited articles. Subject areas of occupational health with 70 articles and subject areas of general medicine with 69 articles ranked the most active research areas in the Production of community medicine’s department. Conclusion: the obtained data showed the much growth of scientific production. The Tehran University of medical Sciences ranked the first in publishing articles in community medicine’s department and with most collaboration with community medicine department of England writers in this field and most writers will present their works in paper format. PMID:28077896

Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo–NH 3 Complex

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

Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.

We report ammonia oxidation by homolytic cleavage of all three H atoms from a Mo-15NH3 complex using the 2,4,6-tri-tert-butylphenoxyl radical to afford a Mo-alkylimido (Mo=15NR) complex (R = 2,4,6-tri-t-butylcyclohexa-2,5-dien-1-one). Reductive cleavage of Mo=15NR generates a terminal Mo≡N nitride, and a [Mo-15NH]+ complex is formed by protonation. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from the Mo-15NH3 complex and the formation of Mo=15NR. Acknowledgment. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Re-search Center funded by the U.S. Department of Energy (U.S. DOE), Office of Science, Officemore » of Basic Energy Sciences. EPR and mass spectrometry experiments were performed using EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at PNNL. The authors thank Dr. Eric D. Walter and Dr. Rosalie Chu for assistance in performing EPR and mass spectroscopy analysis, respectively. Computational resources provided by the National Energy Re-search Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific North-west National Laboratory is operated by Battelle for the U.S. DOE.« less

Python in the NERSC Exascale Science Applications Program for Data

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

Ronaghi, Zahra; Thomas, Rollin; Deslippe, Jack

We describe a new effort at the National Energy Re- search Scientific Computing Center (NERSC) in performance analysis and optimization of scientific Python applications targeting the Intel Xeon Phi (Knights Landing, KNL) many- core architecture. The Python-centered work outlined here is part of a larger effort called the NERSC Exascale Science Applications Program (NESAP) for Data. NESAP for Data focuses on applications that process and analyze high-volume, high-velocity data sets from experimental/observational science (EOS) facilities supported by the US Department of Energy Office of Science. We present three case study applications from NESAP for Data that use Python. These codesmore » vary in terms of “Python purity” from applications developed in pure Python to ones that use Python mainly as a convenience layer for scientists without expertise in lower level programming lan- guages like C, C++ or Fortran. The science case, requirements, constraints, algorithms, and initial performance optimizations for each code are discussed. Our goal with this paper is to contribute to the larger conversation around the role of Python in high-performance computing today and tomorrow, highlighting areas for future work and emerging best practices« less

Using the High-Level Based Program Interface to Facilitate the Large Scale Scientific Computing

PubMed Central

Shang, Yizi; Shang, Ling; Gao, Chuanchang; Lu, Guiming; Ye, Yuntao; Jia, Dongdong

2014-01-01

This paper is to make further research on facilitating the large-scale scientific computing on the grid and the desktop grid platform. The related issues include the programming method, the overhead of the high-level program interface based middleware, and the data anticipate migration. The block based Gauss Jordan algorithm as a real example of large-scale scientific computing is used to evaluate those issues presented above. The results show that the high-level based program interface makes the complex scientific applications on large-scale scientific platform easier, though a little overhead is unavoidable. Also, the data anticipation migration mechanism can improve the efficiency of the platform which needs to process big data based scientific applications. PMID:24574931

Defining Computational Thinking for Mathematics and Science Classrooms

ERIC Educational Resources Information Center

Weintrop, David; Beheshti, Elham; Horn, Michael; Orton, Kai; Jona, Kemi; Trouille, Laura; Wilensky, Uri

2016-01-01

Science and mathematics are becoming computational endeavors. This fact is reflected in the recently released Next Generation Science Standards and the decision to include "computational thinking" as a core scientific practice. With this addition, and the increased presence of computation in mathematics and scientific contexts, a new…

Collectively Improving Our Teaching: Attempting Biology Department-Wide Professional Development in Scientific Teaching

ERIC Educational Resources Information Center

Owens, Melinda T.; Trujillo, Gloriana; Seidel, Shannon B.; Harrison, Colin D.; Farrar, Katherine M.; Benton, Hilary P.; Blair, J. R.; Boyer, Katharyn E.; Breckler, Jennifer L.; Burrus, Laura W.; Byrd, Dana T.; Caporale, Natalia; Carpenter, Edward J.; Chan, Yee-Hung M.; Chen, Joseph C.; Chen, Lily; Chen, Linda H.; Chu, Diana S.; Cochlan, William P.; Crook, Robyn J.; Crow, Karen D.; de la Torre, José R.; Denetclaw, Wilfred F.; Dowdy, Lynne M.; Franklin, Darleen; Fuse, Megumi; Goldman, Michael A.; Govindan, Brinda; Green, Michael; Harris, Holly E.; He, Zheng-Hui; Ingalls, Stephen B.; Ingmire, Peter; Johnson, Amber R. B.; Knight, Jonathan D.; LeBuhn, Gretchen; Light, Terrye L.; Low, Candace; Lund, Lance; Márquez-Magaña, Leticia M.; Miller-Sims, Vanessa C.; Moffatt, Christopher A.; Murdock, Heather; Nusse, Gloria L.; Parker, V. Thomas; Pasion, Sally G.; Patterson, Robert; Pennings, Pleuni S.; Ramirez, Julio C.; Ramirez, Robert M.; Riggs, Blake; Rohlfs, Rori V.; Romeo, Joseph M.; Rothman, Barry S.; Roy, Scott W.; Russo-Tait, Tatiane; Sehgal, Ravinder N. M.; Simonin, Kevin A.; Spicer, Greg S.; Stillman, Jonathon H.; Swei, Andrea; Timpe, Leslie C.; Vredenburg, Vance T.; Weinstein, Steven L.; Zink, Andrew G.; Kelley, Loretta A.; Domingo, Carmen R.; Tanner, Kimberly D.

2018-01-01

Many efforts to improve science teaching in higher education focus on a few faculty members at an institution at a time, with limited published evidence on attempts to engage faculty across entire departments. We created a long-term, department-wide collaborative professional development program, Biology Faculty Explorations in Scientific Teaching…

Ermittlung von Wortstaemmen in russischen wissenschaftlichen Fachsprachen mit Hilfe des Computers (Establishing Word Stems in Scientific Russian With the Aid of a Computer)

ERIC Educational Resources Information Center

Halbauer, Siegfried

1976-01-01

It was considered that students of intensive scientific Russian courses could learn vocabulary more efficiently if they were taught word stems and how to combine them with prefixes and suffixes to form scientific words. The computer programs developed to identify the most important stems is discussed. (Text is in German.) (FB)

Scientific Visualization: The Modern Oscilloscope for "Seeing the Unseeable" (LBNL Summer Lecture Series)

ScienceCinema

Bethel, E. Wes [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division and Scientific Visualization Group

2018-05-07

Summer Lecture Series 2008: Scientific visualization transforms abstract data into readily comprehensible images, provide a vehicle for "seeing the unseeable," and play a central role in both experimental and computational sciences. Wes Bethel, who heads the Scientific Visualization Group in the Computational Research Division, presents an overview of visualization and computer graphics, current research challenges, and future directions for the field.

Scientific Visualization, Seeing the Unseeable

ScienceCinema

LBNL

2017-12-09

June 24, 2008 Berkeley Lab lecture: Scientific visualization transforms abstract data into readily comprehensible images, provide a vehicle for "seeing the unseeable," and play a central role in bo... June 24, 2008 Berkeley Lab lecture: Scientific visualization transforms abstract data into readily comprehensible images, provide a vehicle for "seeing the unseeable," and play a central role in both experimental and computational sciences. Wes Bethel, who heads the Scientific Visualization Group in the Computational Research Division, presents an overview of visualization and computer graphics, current research challenges, and future directions for the field.

Biological and Environmental Research Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Biological and Environmental Research, March 28-31, 2016, Rockville, Maryland

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

Arkin, Adam; Bader, David C.; Coffey, Richard

Understanding the fundamentals of genomic systems or the processes governing impactful weather patterns are examples of the types of simulation and modeling performed on the most advanced computing resources in America. High-performance computing and computational science together provide a necessary platform for the mission science conducted by the Biological and Environmental Research (BER) office at the U.S. Department of Energy (DOE). This report reviews BER’s computing needs and their importance for solving some of the toughest problems in BER’s portfolio. BER’s impact on science has been transformative. Mapping the human genome, including the U.S.-supported international Human Genome Project that DOEmore » began in 1987, initiated the era of modern biotechnology and genomics-based systems biology. And since the 1950s, BER has been a core contributor to atmospheric, environmental, and climate science research, beginning with atmospheric circulation studies that were the forerunners of modern Earth system models (ESMs) and by pioneering the implementation of climate codes onto high-performance computers. See http://exascaleage.org/ber/ for more information.« less

Management, Analysis, and Visualization of Experimental and Observational Data – The Convergence of Data and Computing

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

Bethel, E. Wes; Greenwald, Martin; Kleese van Dam, Kerstin

Scientific user facilities—particle accelerators, telescopes, colliders, supercomputers, light sources, sequencing facilities, and more—operated by the U.S. Department of Energy (DOE) Office of Science (SC) generate ever increasing volumes of data at unprecedented rates from experiments, observations, and simulations. At the same time there is a growing community of experimentalists that require real-time data analysis feedback, to enable them to steer their complex experimental instruments to optimized scientific outcomes and new discoveries. Recent efforts in DOE-SC have focused on articulating the data-centric challenges and opportunities facing these science communities. Key challenges include difficulties coping with data size, rate, and complexity inmore » the context of both real-time and post-experiment data analysis and interpretation. Solutions will require algorithmic and mathematical advances, as well as hardware and software infrastructures that adequately support data-intensive scientific workloads. This paper presents the summary findings of a workshop held by DOE-SC in September 2015, convened to identify the major challenges and the research that is needed to meet those challenges.« less

Management, Analysis, and Visualization of Experimental and Observational Data -- The Convergence of Data and Computing

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

Bethel, E. Wes; Greenwald, Martin; Kleese van Dam, Kersten

Scientific user facilities---particle accelerators, telescopes, colliders, supercomputers, light sources, sequencing facilities, and more---operated by the U.S. Department of Energy (DOE) Office of Science (SC) generate ever increasing volumes of data at unprecedented rates from experiments, observations, and simulations. At the same time there is a growing community of experimentalists that require real-time data analysis feedback, to enable them to steer their complex experimental instruments to optimized scientific outcomes and new discoveries. Recent efforts in DOE-SC have focused on articulating the data-centric challenges and opportunities facing these science communities. Key challenges include difficulties coping with data size, rate, and complexity inmore » the context of both real-time and post-experiment data analysis and interpretation. Solutions will require algorithmic and mathematical advances, as well as hardware and software infrastructures that adequately support data-intensive scientific workloads. This paper presents the summary findings of a workshop held by DOE-SC in September 2015, convened to identify the major challenges and the research that is needed to meet those challenges.« less

STREAM2016: Streaming Requirements, Experience, Applications and Middleware Workshop

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

Fox, Geoffrey; Jha, Shantenu; Ramakrishnan, Lavanya

The Department of Energy (DOE) Office of Science (SC) facilities including accelerators, light sources and neutron sources and sensors that study, the environment, and the atmosphere, are producing streaming data that needs to be analyzed for next-generation scientific discoveries. There has been an explosion of new research and technologies for stream analytics arising from the academic and private sectors. However, there has been no corresponding effort in either documenting the critical research opportunities or building a community that can create and foster productive collaborations. The two-part workshop series, STREAM: Streaming Requirements, Experience, Applications and Middleware Workshop (STREAM2015 and STREAM2016), weremore » conducted to bring the community together and identify gaps and future efforts needed by both NSF and DOE. This report describes the discussions, outcomes and conclusions from STREAM2016: Streaming Requirements, Experience, Applications and Middleware Workshop, the second of these workshops held on March 22-23, 2016 in Tysons, VA. STREAM2016 focused on the Department of Energy (DOE) applications, computational and experimental facilities, as well software systems. Thus, the role of “streaming and steering” as a critical mode of connecting the experimental and computing facilities was pervasive through the workshop. Given the overlap in interests and challenges with industry, the workshop had significant presence from several innovative companies and major contributors. The requirements that drive the proposed research directions, identified in this report, show an important opportunity for building competitive research and development program around streaming data. These findings and recommendations are consistent with vision outlined in NRC Frontiers of Data and National Strategic Computing Initiative (NCSI) [1, 2]. The discussions from the workshop are captured as topic areas covered in this report's sections. The report discusses four research directions driven by current and future application requirements reflecting the areas identified as important by STREAM2016. These include (i) Algorithms, (ii) Programming Models, Languages and Runtime Systems (iii) Human-in-the-loop and Steering in Scientific Workflow and (iv) Facilities.« less

OMPC: an Open-Source MATLAB-to-Python Compiler.

PubMed

Jurica, Peter; van Leeuwen, Cees

2009-01-01

Free access to scientific information facilitates scientific progress. Open-access scientific journals are a first step in this direction; a further step is to make auxiliary and supplementary materials that accompany scientific publications, such as methodological procedures and data-analysis tools, open and accessible to the scientific community. To this purpose it is instrumental to establish a software base, which will grow toward a comprehensive free and open-source language of technical and scientific computing. Endeavors in this direction are met with an important obstacle. MATLAB((R)), the predominant computation tool in many fields of research, is a closed-source commercial product. To facilitate the transition to an open computation platform, we propose Open-source MATLAB((R))-to-Python Compiler (OMPC), a platform that uses syntax adaptation and emulation to allow transparent import of existing MATLAB((R)) functions into Python programs. The imported MATLAB((R)) modules will run independently of MATLAB((R)), relying on Python's numerical and scientific libraries. Python offers a stable and mature open source platform that, in many respects, surpasses commonly used, expensive commercial closed source packages. The proposed software will therefore facilitate the transparent transition towards a free and general open-source lingua franca for scientific computation, while enabling access to the existing methods and algorithms of technical computing already available in MATLAB((R)). OMPC is available at http://ompc.juricap.com.

Parallel computing works

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

Not Available

An account of the Caltech Concurrent Computation Program (C{sup 3}P), a five year project that focused on answering the question: Can parallel computers be used to do large-scale scientific computations '' As the title indicates, the question is answered in the affirmative, by implementing numerous scientific applications on real parallel computers and doing computations that produced new scientific results. In the process of doing so, C{sup 3}P helped design and build several new computers, designed and implemented basic system software, developed algorithms for frequently used mathematical computations on massively parallel machines, devised performance models and measured the performance of manymore » computers, and created a high performance computing facility based exclusively on parallel computers. While the initial focus of C{sup 3}P was the hypercube architecture developed by C. Seitz, many of the methods developed and lessons learned have been applied successfully on other massively parallel architectures.« less

Exploring Cloud Computing for Large-scale Scientific Applications

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

Lin, Guang; Han, Binh; Yin, Jian

This paper explores cloud computing for large-scale data-intensive scientific applications. Cloud computing is attractive because it provides hardware and software resources on-demand, which relieves the burden of acquiring and maintaining a huge amount of resources that may be used only once by a scientific application. However, unlike typical commercial applications that often just requires a moderate amount of ordinary resources, large-scale scientific applications often need to process enormous amount of data in the terabyte or even petabyte range and require special high performance hardware with low latency connections to complete computation in a reasonable amount of time. To address thesemore » challenges, we build an infrastructure that can dynamically select high performance computing hardware across institutions and dynamically adapt the computation to the selected resources to achieve high performance. We have also demonstrated the effectiveness of our infrastructure by building a system biology application and an uncertainty quantification application for carbon sequestration, which can efficiently utilize data and computation resources across several institutions.« less

Scientific Integrity Policy Creation and Implementation.

NASA Astrophysics Data System (ADS)

Koizumi, K.

2017-12-01

Ensuring the integrity of science was a priority for the Obama Administration. In March 2009, President Obama issued a Presidential Memorandum that recognized the need for the public to be able to trust the science and scientific process informing public policy decisions. In 2010, the White House Office of Science and Technology Policy (OSTP) issued a Memorandum providing guidelines for Federal departments and agencies to follow in developing scientific integrity policies. This Memorandum describes minimum standards for: (1) strengthening the foundations of scientific integrity in government, including by shielding scientific data and analysis from inappropriate political influence; (2) improving public communication about science and technology by promoting openness and transparency; (3) enhancing the ability of Federal Advisory Committees to provide independent scientific advice; and (4) supporting the professional development of government scientists and engineers. The Memorandum called upon the heads of departments and agencies to develop scientific integrity policies that meet these requirements. At the end of the Obama Administration, 24 Federal departments and agencies had developed and implemented scientific integrity policies consistent with the OSTP guidelines. This year, there are significant questions as to the Trump Administration's commitment to these scientific integrity policies and interest in the Congress in codifying these policies in law. The session will provide an update on the status of agency scientific integrity policies and legislation.

76 FR 5819 - Availability of the Policy on Integrity of Scientific and Scholarly Activities of the Department...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-02

...: Background The Presidential Memorandum on Scientific Integrity dated March 9, 2009, and the Office of Science... the Secretary's directive. The policy covers all Department employees, including political appointees...

An Overview of the Computational Physics and Methods Group at Los Alamos National Laboratory

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

Baker, Randal Scott

CCS Division was formed to strengthen the visibility and impact of computer science and computational physics research on strategic directions for the Laboratory. Both computer science and computational science are now central to scientific discovery and innovation. They have become indispensable tools for all other scientific missions at the Laboratory. CCS Division forms a bridge between external partners and Laboratory programs, bringing new ideas and technologies to bear on today’s important problems and attracting high-quality technical staff members to the Laboratory. The Computational Physics and Methods Group CCS-2 conducts methods research and develops scientific software aimed at the latest andmore » emerging HPC systems.« less

[Earth Science Technology Office's Computational Technologies Project

NASA Technical Reports Server (NTRS)

Fischer, James (Technical Monitor); Merkey, Phillip

2005-01-01

This grant supported the effort to characterize the problem domain of the Earth Science Technology Office's Computational Technologies Project, to engage the Beowulf Cluster Computing Community as well as the High Performance Computing Research Community so that we can predict the applicability of said technologies to the scientific community represented by the CT project and formulate long term strategies to provide the computational resources necessary to attain the anticipated scientific objectives of the CT project. Specifically, the goal of the evaluation effort is to use the information gathered over the course of the Round-3 investigations to quantify the trends in scientific expectations, the algorithmic requirements and capabilities of high-performance computers to satisfy this anticipated need.

Costs of cloud computing for a biometry department. A case study.

PubMed

Knaus, J; Hieke, S; Binder, H; Schwarzer, G

2013-01-01

"Cloud" computing providers, such as the Amazon Web Services (AWS), offer stable and scalable computational resources based on hardware virtualization, with short, usually hourly, billing periods. The idea of pay-as-you-use seems appealing for biometry research units which have only limited access to university or corporate data center resources or grids. This case study compares the costs of an existing heterogeneous on-site hardware pool in a Medical Biometry and Statistics department to a comparable AWS offer. The "total cost of ownership", including all direct costs, is determined for the on-site hardware, and hourly prices are derived, based on actual system utilization during the year 2011. Indirect costs, which are difficult to quantify are not included in this comparison, but nevertheless some rough guidance from our experience is given. To indicate the scale of costs for a methodological research project, a simulation study of a permutation-based statistical approach is performed using AWS and on-site hardware. In the presented case, with a system utilization of 25-30 percent and 3-5-year amortization, on-site hardware can result in smaller costs, compared to hourly rental in the cloud dependent on the instance chosen. Renting cloud instances with sufficient main memory is a deciding factor in this comparison. Costs for on-site hardware may vary, depending on the specific infrastructure at a research unit, but have only moderate impact on the overall comparison and subsequent decision for obtaining affordable scientific computing resources. Overall utilization has a much stronger impact as it determines the actual computing hours needed per year. Taking this into ac count, cloud computing might still be a viable option for projects with limited maturity, or as a supplement for short peaks in demand.

Computers and Computation. Readings from Scientific American.

ERIC Educational Resources Information Center

Fenichel, Robert R.; Weizenbaum, Joseph

A collection of articles from "Scientific American" magazine has been put together at this time because the current period in computer science is one of consolidation rather than innovation. A few years ago, computer science was moving so swiftly that even the professional journals were more archival than informative; but today it is…

OPENING REMARKS: SciDAC: Scientific Discovery through Advanced Computing

NASA Astrophysics Data System (ADS)

Strayer, Michael

2005-01-01

Good morning. Welcome to SciDAC 2005 and San Francisco. SciDAC is all about computational science and scientific discovery. In a large sense, computational science characterizes SciDAC and its intent is change. It transforms both our approach and our understanding of science. It opens new doors and crosses traditional boundaries while seeking discovery. In terms of twentieth century methodologies, computational science may be said to be transformational. There are a number of examples to this point. First are the sciences that encompass climate modeling. The application of computational science has in essence created the field of climate modeling. This community is now international in scope and has provided precision results that are challenging our understanding of our environment. A second example is that of lattice quantum chromodynamics. Lattice QCD, while adding precision and insight to our fundamental understanding of strong interaction dynamics, has transformed our approach to particle and nuclear science. The individual investigator approach has evolved to teams of scientists from different disciplines working side-by-side towards a common goal. SciDAC is also undergoing a transformation. This meeting is a prime example. Last year it was a small programmatic meeting tracking progress in SciDAC. This year, we have a major computational science meeting with a variety of disciplines and enabling technologies represented. SciDAC 2005 should position itself as a new corner stone for Computational Science and its impact on science. As we look to the immediate future, FY2006 will bring a new cycle to SciDAC. Most of the program elements of SciDAC will be re-competed in FY2006. The re-competition will involve new instruments for computational science, new approaches for collaboration, as well as new disciplines. There will be new opportunities for virtual experiments in carbon sequestration, fusion, and nuclear power and nuclear waste, as well as collaborations with industry and virtual prototyping. New instruments of collaboration will include institutes and centers while summer schools, workshops and outreach will invite new talent and expertise. Computational science adds new dimensions to science and its practice. Disciplines of fusion, accelerator science, and combustion are poised to blur the boundaries between pure and applied science. As we open the door into FY2006 we shall see a landscape of new scientific challenges: in biology, chemistry, materials, and astrophysics to name a few. The enabling technologies of SciDAC have been transformational as drivers of change. Planning for major new software systems assumes a base line employing Common Component Architectures and this has become a household word for new software projects. While grid algorithms and mesh refinement software have transformed applications software, data management and visualization have transformed our understanding of science from data. The Gordon Bell prize now seems to be dominated by computational science and solvers developed by TOPS ISIC. The priorities of the Office of Science in the Department of Energy are clear. The 20 year facilities plan is driven by new science. High performance computing is placed amongst the two highest priorities. Moore's law says that by the end of the next cycle of SciDAC we shall have peta-flop computers. The challenges of petascale computing are enormous. These and the associated computational science are the highest priorities for computing within the Office of Science. Our effort in Leadership Class computing is just a first step towards this goal. Clearly, computational science at this scale will face enormous challenges and possibilities. Performance evaluation and prediction will be critical to unraveling the needed software technologies. We must not lose sight of our overarching goal—that of scientific discovery. Science does not stand still and the landscape of science discovery and computing holds immense promise. In this environment, I believe it is necessary to institute a system of science based performance metrics to help quantify our progress towards science goals and scientific computing. As a final comment I would like to reaffirm that the shifting landscapes of science will force changes to our computational sciences, and leave you with the quote from Richard Hamming, 'The purpose of computing is insight, not numbers'.

A 3D Numerical Survey of Seismic Waves Inside and Around an Underground Cavity

NASA Astrophysics Data System (ADS)

Esterhazy, S.; Schneider, F. M.; Perugia, I.; Bokelmann, G.

2016-12-01

Motivated by the need to detect an underground cavity within the procedure of an On-Site-Inspection (OSI) of the Comprehensive Nuclear Test Ban Treaty Organization (CTBTO), which might be caused by a nuclear explo- sion/weapon testing, we present our findings of a numerical study on the elastic wave propagation inside and around such an underground cavity.The aim of the CTBTO is to ban all nuclear explosions of any size anywhere, by anyone. Therefore, it is essential to build a powerful strategy to efficiently investigate and detect critical signatures such as gas filled cavities, rubble zones and fracture networks below the surface. One method to investigate the geophysical properties of an under- ground cavity allowed by the Comprehensive Nuclear-test Ban Treaty is referred to as "resonance seismometry" - a resonance method that uses passive or active seismic techniques, relying on seismic cavity vibrations. This method is in fact not yet entirely determined by the Treaty and there are also only few experimental examples that have been suitably documented to build a proper scientific groundwork. This motivates to investigate this problem on a purely numerical level and to simulate these events based on recent advances in the mathematical understanding of the underlying physical phenomena.Our numerical study includes the full elastic wave field in three dimensions. We consider the effects from an in- coming plane wave as well as point source located in the surrounding of the cavity at the surface. While the former can be considered as passive source like a tele-seismic earthquake, the latter represents a man-made explosion or a viborseis as used for/in active seismic techniques. For our simulations in 3D we use the discontinuous Galerkin Spectral Element Code SPEED developed by MOX (The Laboratory for Modeling and Scientific Computing, Department of Mathematics) and DICA (Department of Civil and Environmental Engineering) at the Politecnico di Milano. The computations are carried out on the Vienna Scientific Cluster (VSC).The accurate numerical modeling can facilitate the development of proper analysis techniques to detect the remnants of an underground nuclear test, help to set a rigorous scientific base of OSI and contribute to bringing the Treaty into force.

Investigating the impact of the cielo cray XE6 architecture on scientific application codes.

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

Rajan, Mahesh; Barrett, Richard; Pedretti, Kevin Thomas Tauke

2010-12-01

Cielo, a Cray XE6, is the Department of Energy NNSA Advanced Simulation and Computing (ASC) campaign's newest capability machine. Rated at 1.37 PFLOPS, it consists of 8,944 dual-socket oct-core AMD Magny-Cours compute nodes, linked using Cray's Gemini interconnect. Its primary mission objective is to enable a suite of the ASC applications implemented using MPI to scale to tens of thousands of cores. Cielo is an evolutionary improvement to a successful architecture previously available to many of our codes, thus enabling a basis for understanding the capabilities of this new architecture. Using three codes strategically important to the ASC campaign, andmore » supplemented with some micro-benchmarks that expose the fundamental capabilities of the XE6, we report on the performance characteristics and capabilities of Cielo.« less

Balancing Life and the Mission: Compressed Scheduling in Law Enforcement

DTIC Science & Technology

2010-03-01

the operational tempo of any organized unit. Officer Roy Woody, a Los 4 Angeles Police Department ( LAPD ) recruiter said...Several universities, police departments and private organizations have commissioned both scientific and non-scientific studies collecting the wide...Bryan Vila, Ph.D. of the Washington State University Criminal Justice Program, Sleep and Performance Research Center, police departments across the

Scientific Inquiry Self-Efficacy and Computer Game Self-Efficacy as Predictors and Outcomes of Middle School Boys' and Girls' Performance in a Science Assessment in a Virtual Environment

NASA Astrophysics Data System (ADS)

Bergey, Bradley W.; Ketelhut, Diane Jass; Liang, Senfeng; Natarajan, Uma; Karakus, Melissa

2015-10-01

The primary aim of the study was to examine whether performance on a science assessment in an immersive virtual environment was associated with changes in scientific inquiry self-efficacy. A secondary aim of the study was to examine whether performance on the science assessment was equitable for students with different levels of computer game self-efficacy, including whether gender differences were observed. We examined 407 middle school students' scientific inquiry self-efficacy and computer game self-efficacy before and after completing a computer game-like assessment about a science mystery. Results from path analyses indicated that prior scientific inquiry self-efficacy predicted achievement on end-of-module questions, which in turn predicted change in scientific inquiry self-efficacy. By contrast, computer game self-efficacy was neither predictive of nor predicted by performance on the science assessment. While boys had higher computer game self-efficacy compared to girls, multi-group analyses suggested only minor gender differences in how efficacy beliefs related to performance. Implications for assessments with virtual environments and future design and research are discussed.

77 FR 29361 - Scientific Integrity: Statement of Policy

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2012-05-17

... DEPARTMENT OF LABOR Scientific Integrity: Statement of Policy AGENCY: Office of the Secretary... Integrity Policy, originally published April 17, 2012. FOR FURTHER INFORMATION CONTACT: E. Christi Cunningham, Associate Assistant Secretary for Regulatory Policy, U.S. Department of Labor, 200 Constitution...

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

Hules, John

This 1998 annual report from the National Scientific Energy Research Computing Center (NERSC) presents the year in review of the following categories: Computational Science; Computer Science and Applied Mathematics; and Systems and Services. Also presented are science highlights in the following categories: Basic Energy Sciences; Biological and Environmental Research; Fusion Energy Sciences; High Energy and Nuclear Physics; and Advanced Scientific Computing Research and Other Projects.

Hypergraph-Based Combinatorial Optimization of Matrix-Vector Multiplication

ERIC Educational Resources Information Center

Wolf, Michael Maclean

2009-01-01

Combinatorial scientific computing plays an important enabling role in computational science, particularly in high performance scientific computing. In this thesis, we will describe our work on optimizing matrix-vector multiplication using combinatorial techniques. Our research has focused on two different problems in combinatorial scientific…

The Versatile Terminal.

ERIC Educational Resources Information Center

Evans, C. D.

This paper describes the experiences of the industrial research laboratory of Kodak Ltd. in finding and providing a computer terminal most suited to its very varied requirements. These requirements include bibliographic and scientific data searching and access to a number of worldwide computing services for scientific computing work. The provision…

Amplify scientific discovery with artificial intelligence

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

Gil, Yolanda; Greaves, Mark T.; Hendler, James

Computing innovations have fundamentally changed many aspects of scientific inquiry. For example, advances in robotics, high-end computing, networking, and databases now underlie much of what we do in science such as gene sequencing, general number crunching, sharing information between scientists, and analyzing large amounts of data. As computing has evolved at a rapid pace, so too has its impact in science, with the most recent computing innovations repeatedly being brought to bear to facilitate new forms of inquiry. Recently, advances in Artificial Intelligence (AI) have deeply penetrated many consumer sectors, including for example Apple’s Siri™ speech recognition system, real-time automatedmore » language translation services, and a new generation of self-driving cars and self-navigating drones. However, AI has yet to achieve comparable levels of penetration in scientific inquiry, despite its tremendous potential in aiding computers to help scientists tackle tasks that require scientific reasoning. We contend that advances in AI will transform the practice of science as we are increasingly able to effectively and jointly harness human and machine intelligence in the pursuit of major scientific challenges.« less

A distributed computing environment with support for constraint-based task scheduling and scientific experimentation

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

Ahrens, J.P.; Shapiro, L.G.; Tanimoto, S.L.

1997-04-01

This paper describes a computing environment which supports computer-based scientific research work. Key features include support for automatic distributed scheduling and execution and computer-based scientific experimentation. A new flexible and extensible scheduling technique that is responsive to a user`s scheduling constraints, such as the ordering of program results and the specification of task assignments and processor utilization levels, is presented. An easy-to-use constraint language for specifying scheduling constraints, based on the relational database query language SQL, is described along with a search-based algorithm for fulfilling these constraints. A set of performance studies show that the environment can schedule and executemore » program graphs on a network of workstations as the user requests. A method for automatically generating computer-based scientific experiments is described. Experiments provide a concise method of specifying a large collection of parameterized program executions. The environment achieved significant speedups when executing experiments; for a large collection of scientific experiments an average speedup of 3.4 on an average of 5.5 scheduled processors was obtained.« less

Computer-Supported Aids to Making Sense of Scientific Articles: Cognitive, Motivational, and Attitudinal Effects

ERIC Educational Resources Information Center

Gegner, Julie A.; Mackay, Donald H. J.; Mayer, Richard E.

2009-01-01

High school students can access original scientific research articles on the Internet, but may have trouble understanding them. To address this problem of online literacy, the authors developed a computer-based prototype for guiding students' comprehension of scientific articles. High school students were asked to read an original scientific…

Scientific Computing for Chemists: An Undergraduate Course in Simulations, Data Processing, and Visualization

ERIC Educational Resources Information Center

Weiss, Charles J.

2017-01-01

The Scientific Computing for Chemists course taught at Wabash College teaches chemistry students to use the Python programming language, Jupyter notebooks, and a number of common Python scientific libraries to process, analyze, and visualize data. Assuming no prior programming experience, the course introduces students to basic programming and…

Computational chemistry in pharmaceutical research: at the crossroads.

PubMed

Bajorath, Jürgen

2012-01-01

Computational approaches are an integral part of pharmaceutical research. However, there are many of unsolved key questions that limit the scientific progress in the still evolving computational field and its impact on drug discovery. Importantly, a number of these questions are not new but date back many years. Hence, it might be difficult to conclusively answer them in the foreseeable future. Moreover, the computational field as a whole is characterized by a high degree of heterogeneity and so is, unfortunately, the quality of its scientific output. In light of this situation, it is proposed that changes in scientific standards and culture should be seriously considered now in order to lay a foundation for future progress in computational research.

[Earth and Space Sciences Project Services for NASA HPCC

NASA Technical Reports Server (NTRS)

Merkey, Phillip

2002-01-01

This grant supported the effort to characterize the problem domain of the Earth Science Technology Office's Computational Technologies Project, to engage the Beowulf Cluster Computing Community as well as the High Performance Computing Research Community so that we can predict the applicability of said technologies to the scientific community represented by the CT project and formulate long term strategies to provide the computational resources necessary to attain the anticipated scientific objectives of the CT project. Specifically, the goal of the evaluation effort is to use the information gathered over the course of the Round-3 investigations to quantify the trends in scientific expectations, the algorithmic requirements and capabilities of high-performance computers to satisfy this anticipated need.

Scholarly literature and the press: scientific impact and social perception of physics computing

NASA Astrophysics Data System (ADS)

Pia, M. G.; Basaglia, T.; Bell, Z. W.; Dressendorfer, P. V.

2014-06-01

The broad coverage of the search for the Higgs boson in the mainstream media is a relative novelty for high energy physics (HEP) research, whose achievements have traditionally been limited to scholarly literature. This paper illustrates the results of a scientometric analysis of HEP computing in scientific literature, institutional media and the press, and a comparative overview of similar metrics concerning representative particle physics measurements. The picture emerging from these scientometric data documents the relationship between the scientific impact and the social perception of HEP physics research versus that of HEP computing. The results of this analysis suggest that improved communication of the scientific and social role of HEP computing via press releases from the major HEP laboratories would be beneficial to the high energy physics community.

Software Reuse Methods to Improve Technological Infrastructure for e-Science

NASA Technical Reports Server (NTRS)

Marshall, James J.; Downs, Robert R.; Mattmann, Chris A.

2011-01-01

Social computing has the potential to contribute to scientific research. Ongoing developments in information and communications technology improve capabilities for enabling scientific research, including research fostered by social computing capabilities. The recent emergence of e-Science practices has demonstrated the benefits from improvements in the technological infrastructure, or cyber-infrastructure, that has been developed to support science. Cloud computing is one example of this e-Science trend. Our own work in the area of software reuse offers methods that can be used to improve new technological development, including cloud computing capabilities, to support scientific research practices. In this paper, we focus on software reuse and its potential to contribute to the development and evaluation of information systems and related services designed to support new capabilities for conducting scientific research.

Salary Management System for Small and Medium-sized Enterprises

NASA Astrophysics Data System (ADS)

Hao, Zhang; Guangli, Xu; Yuhuan, Zhang; Yilong, Lei

Small and Medium-sized Enterprises (SMEs) in the process of wage entry, calculation, the total number are needed to be done manually in the past, the data volume is quite large, processing speed is low, and it is easy to make error, which is resulting in low efficiency. The main purpose of writing this paper is to present the basis of salary management system, establish a scientific database, the computer payroll system, using the computer instead of a lot of past manual work in order to reduce duplication of staff labor, it will improve working efficiency.This system combines the actual needs of SMEs, through in-depth study and practice of the C/S mode, PowerBuilder10.0 development tools, databases and SQL language, Completed a payroll system needs analysis, database design, application design and development work. Wages, departments, units and personnel database file are included in this system, and have data management, department management, personnel management and other functions, through the control and management of the database query, add, delete, modify, and other functions can be realized. This system is reasonable design, a more complete function, stable operation has been tested to meet the basic needs of the work.

Multidimensional Environmental Data Resource Brokering on Computational Grids and Scientific Clouds

NASA Astrophysics Data System (ADS)

Montella, Raffaele; Giunta, Giulio; Laccetti, Giuliano

Grid computing has widely evolved over the past years, and its capabilities have found their way even into business products and are no longer relegated to scientific applications. Today, grid computing technology is not restricted to a set of specific grid open source or industrial products, but rather it is comprised of a set of capabilities virtually within any kind of software to create shared and highly collaborative production environments. These environments are focused on computational (workload) capabilities and the integration of information (data) into those computational capabilities. An active grid computing application field is the fully virtualization of scientific instruments in order to increase their availability and decrease operational and maintaining costs. Computational and information grids allow to manage real-world objects in a service-oriented way using industrial world-spread standards.

78 FR 6087 - Advanced Scientific Computing Advisory Committee

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2013-01-29

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Computational Science in Armenia (Invited Talk)

NASA Astrophysics Data System (ADS)

Marandjian, H.; Shoukourian, Yu.

This survey is devoted to the development of informatics and computer science in Armenia. The results in theoretical computer science (algebraic models, solutions to systems of general form recursive equations, the methods of coding theory, pattern recognition and image processing), constitute the theoretical basis for developing problem-solving-oriented environments. As examples can be mentioned: a synthesizer of optimized distributed recursive programs, software tools for cluster-oriented implementations of two-dimensional cellular automata, a grid-aware web interface with advanced service trading for linear algebra calculations. In the direction of solving scientific problems that require high-performance computing resources, examples of completed projects include the field of physics (parallel computing of complex quantum systems), astrophysics (Armenian virtual laboratory), biology (molecular dynamics study of human red blood cell membrane), meteorology (implementing and evaluating the Weather Research and Forecast Model for the territory of Armenia). The overview also notes that the Institute for Informatics and Automation Problems of the National Academy of Sciences of Armenia has established a scientific and educational infrastructure, uniting computing clusters of scientific and educational institutions of the country and provides the scientific community with access to local and international computational resources, that is a strong support for computational science in Armenia.

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Highly parallel computation

NASA Technical Reports Server (NTRS)

Denning, Peter J.; Tichy, Walter F.

1990-01-01

Highly parallel computing architectures are the only means to achieve the computation rates demanded by advanced scientific problems. A decade of research has demonstrated the feasibility of such machines and current research focuses on which architectures designated as multiple instruction multiple datastream (MIMD) and single instruction multiple datastream (SIMD) have produced the best results to date; neither shows a decisive advantage for most near-homogeneous scientific problems. For scientific problems with many dissimilar parts, more speculative architectures such as neural networks or data flow may be needed.

75 FR 35075 - Center for Scientific Review; Notice of Closed Meetings

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Building Cognition: The Construction of Computational Representations for Scientific Discovery

ERIC Educational Resources Information Center

Chandrasekharan, Sanjay; Nersessian, Nancy J.

2015-01-01

Novel computational representations, such as simulation models of complex systems and video games for scientific discovery (Foldit, EteRNA etc.), are dramatically changing the way discoveries emerge in science and engineering. The cognitive roles played by such computational representations in discovery are not well understood. We present a…

Quarterly Progress Report (January 1 to March 31, 1950)

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

Brookhaven National Laboratory

This is the first of a series of Quarterly Reports. These reports will deal primarily with the progress made in our scientific program during a three months period. Those interested in matters pertaining to organization, administration, complete scientific program, personnel and other matters not directly involved in current scientific progress are referred to our Annual Progress Report which is issued in January. We have attempted to describe new information that appears significant, or of interest, to other scientists within the Atomic Energy Commission Laboratories. No effort has been made, however, to detail progress in each and every research project. Littlemore » or no reference will therefore be found to the projects in which progress during the current period is considered too inconclusive. Since our organizational structure is departmental, the work described herein is arranged in the following sequence: (1) Accelerator Project; (2) Biology Department; (3) Chemistry Department; (4) Instrumentation and Health Physic8 Department; (5) Medical Department; (6) Physics Department; and (7) Reactor Science and Engineering Department.« less

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Computational Scientific Inquiry with Virtual Worlds and Agent-Based Models: New Ways of Doing Science to Learn Science

ERIC Educational Resources Information Center

Jacobson, Michael J.; Taylor, Charlotte E.; Richards, Deborah

2016-01-01

In this paper, we propose computational scientific inquiry (CSI) as an innovative model for learning important scientific knowledge and new practices for "doing" science. This approach involves the use of a "game-like" virtual world for students to experience virtual biological fieldwork in conjunction with using an agent-based…

Using Just-in-Time Information to Support Scientific Discovery Learning in a Computer-Based Simulation

ERIC Educational Resources Information Center

Hulshof, Casper D.; de Jong, Ton

2006-01-01

Students encounter many obstacles during scientific discovery learning with computer-based simulations. It is hypothesized that an effective type of support, that does not interfere with the scientific discovery learning process, should be delivered on a "just-in-time" base. This study explores the effect of facilitating access to…

Progress towards an effective model for FeSe from high-accuracy first-principles quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Busemeyer, Brian; Wagner, Lucas K.

While the origin of superconductivity in the iron-based materials is still controversial, the proximity of the superconductivity to magnetic order is suggestive that magnetism may be important. Our previous work has suggested that first-principles Diffusion Monte Carlo (FN-DMC) can capture magnetic properties of iron-based superconductors that density functional theory (DFT) misses, but which are consistent with experiment. We report on the progress of efforts to find simple effective models consistent with the FN-DMC description of the low-lying Hilbert space of the iron-based superconductor, FeSe. We utilize a procedure outlined by Changlani et al.[1], which both produces parameter values and indications of whether the model is a good description of the first-principles Hamiltonian. Using this procedure, we evaluate several models of the magnetic part of the Hilbert space found in the literature, as well as the Hubbard model, and a spin-fermion model. We discuss which interaction parameters are important for this material, and how the material-specific properties give rise to these interactions. U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Scientific Discovery through Advanced Computing (SciDAC) program under Award No. FG02-12ER46875, as well as the NSF Graduate Research Fellowship Program.

Electron Correlation in Oxygen Vacancy in SrTiO3

NASA Astrophysics Data System (ADS)

Lin, Chungwei; Demkov, Alexander A.

2014-03-01

Oxygen vacancies are an important type of defect in transition metal oxides. In SrTiO3 they are believed to be the main donors in an otherwise intrinsic crystal. At the same time, a relatively deep gap state associated with the vacancy is widely reported. To explain this inconsistency we investigate the effect of electron correlation in an oxygen vacancy (OV) in SrTiO3. When taking correlation into account, we find that the OV-induced localized level can at most trap one electron, while the second electron occupies the conduction band. Our results offer a natural explanation of how the OV in SrTiO3 can produce a deep in-gap level (about 1 eV below the conduction band bottom) in photoemission, and at the same time be an electron donor. Our analysis implies an OV in SrTiO3 should be fundamentally regarded as a magnetic impurity, whose deep level is always partially occupied due to the strong Coulomb repulsion. An OV-based Anderson impurity model is derived, and its implications are discussed. This work was supported by Scientific Discovery through Advanced Computing (SciDAC) program funded by U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences under award number DESC0008877.

Public Outreach at RAL: Engaging the Next Generation of Scientists and Engineers

NASA Astrophysics Data System (ADS)

Corbett, G.; Ryall, G.; Palmer, S.; Collier, I. P.; Adams, J.; Appleyard, R.

2015-12-01

The Rutherford Appleton Laboratory (RAL) is part of the UK's Science and Technology Facilities Council (STFC). As part of the Royal Charter that established the STFC, the organisation is required to generate public awareness and encourage public engagement and dialogue in relation to the science undertaken. The staff at RAL firmly support this activity as it is important to encourage the next generation of students to consider studying Science, Technology, Engineering, and Mathematics (STEM) subjects, providing the UK with a highly skilled work-force in the future. To this end, the STFC undertakes a variety of outreach activities. This paper will describe the outreach activities undertaken by RAL, particularly focussing on those of the Scientific Computing Department (SCD). These activities include: an Arduino based activity day for 12-14 year-olds to celebrate Ada Lovelace day; running a centre as part of the Young Rewired State - encouraging 11-18 year-olds to create web applications with open data; sponsoring a team in the Engineering Education Scheme - supporting a small team of 16-17 year-olds to solve a real world engineering problem; as well as the more traditional tours of facilities. These activities could serve as an example for other sites involved in scientific computing around the globe.

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Issues in undergraduate education in computational science and high performance computing

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

Marchioro, T.L. II; Martin, D.

1994-12-31

The ever increasing need for mathematical and computational literacy within their society and among members of the work force has generated enormous pressure to revise and improve the teaching of related subjects throughout the curriculum, particularly at the undergraduate level. The Calculus Reform movement is perhaps the best known example of an organized initiative in this regard. The UCES (Undergraduate Computational Engineering and Science) project, an effort funded by the Department of Energy and administered through the Ames Laboratory, is sponsoring an informal and open discussion of the salient issues confronting efforts to improve and expand the teaching of computationalmore » science as a problem oriented, interdisciplinary approach to scientific investigation. Although the format is open, the authors hope to consider pertinent questions such as: (1) How can faculty and research scientists obtain the recognition necessary to further excellence in teaching the mathematical and computational sciences? (2) What sort of educational resources--both hardware and software--are needed to teach computational science at the undergraduate level? Are traditional procedural languages sufficient? Are PCs enough? Are massively parallel platforms needed? (3) How can electronic educational materials be distributed in an efficient way? Can they be made interactive in nature? How should such materials be tied to the World Wide Web and the growing ``Information Superhighway``?« less

Fusion Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Fusion Energy Sciences, January 27-29, 2016, Gaithersburg, Maryland

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

Chang, Choong-Seock; Greenwald, Martin; Riley, Katherine

The additional computing power offered by the planned exascale facilities could be transformational across the spectrum of plasma and fusion research — provided that the new architectures can be efficiently applied to our problem space. The collaboration that will be required to succeed should be viewed as an opportunity to identify and exploit cross-disciplinary synergies. To assess the opportunities and requirements as part of the development of an overall strategy for computing in the exascale era, the Exascale Requirements Review meeting of the Fusion Energy Sciences (FES) community was convened January 27–29, 2016, with participation from a broad range ofmore » fusion and plasma scientists, specialists in applied mathematics and computer science, and representatives from the U.S. Department of Energy (DOE) and its major computing facilities. This report is a summary of that meeting and the preparatory activities for it and includes a wealth of detail to support the findings. Technical opportunities, requirements, and challenges are detailed in this report (and in the recent report on the Workshop on Integrated Simulation). Science applications are described, along with mathematical and computational enabling technologies. Also see http://exascaleage.org/fes/ for more information.« less

The role of broken symmetry in solvation of a spherical cavity in classical and quantum water models

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

Remsing, Richard C.; Baer, Marcel D.; Schenter, Gregory K.

2014-08-21

Insertion of a hard sphere cavity in liquid water breaks translational symmetry and generates an electrostatic potential difference between the region near the cavity and the bulk. Here, we clarify the physical interpretation of this potential and its calculation. We also show that the electrostatic potential in the center of small, medium, and large cavities depends very sensitively on the form of the assumed molecular interactions for dfferent classical simple point-charge models and quantum mechanical DFT-based interaction potentials, as reected in their description of donor and acceptor hydrogen bonds near the cavity. These dfferences can signifcantly affect the magnitude ofmore » the scalar electrostatic potential. We argue that the result of these studies will have direct consequences toward our understanding of the thermodynamics of ion solvation through the cavity charging process. JDW and RCR are supported by the National Science Foundation (Grants CHE0848574 and CHE1300993). CJM and GKS are supported by the U.S. Department of Energy`s (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the Department of Energy by Battelle. MDB is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship Program at PNNL. We acknowledge illuminating discussions and sharing of ideas and preprints with Dr. Shawn M. Kathmann and Prof. Tom Beck. The DFT simulations used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Additional computing resources were generously allocated by PNNL's Institutional Computing program.« less

The Role of Academic Computer Departments in the Uses of Computers in the Undergraduate Curricula at the Two-Year College Level.

ERIC Educational Resources Information Center

Little, Joyce Currie

Academic computer departments, whether called by this name or by others such as the department of computer science or data programing, can be of great assistance to other departments in the two-year college. Faculty in other departments need to know about computer applications in their fields, require assistance in the development of curriculum…

75 FR 21641 - Center for Scientific Review; Notice of Closed Meetings

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-26

... DEPARTMENT OF HEALTH AND HUMAN SERVICES National Institutes of Health Center for Scientific Review... personal privacy. Name of Committee: Center for Scientific Review Special Emphasis Panel; OBT IRG Member... Call). Contact Person: Angela Y. Ng, MBA, PhD, Scientific Review Officer, Center for Scientific Review...

An Interdisciplinary Guided Inquiry on Estuarine Transport Using a Computer Model in High School Classrooms

ERIC Educational Resources Information Center

Chan, Kit Yu Karen; Yang, Sylvia; Maliska, Max E.; Grunbaum, Daniel

2012-01-01

The National Science Education Standards have highlighted the importance of active learning and reflection for contemporary scientific methods in K-12 classrooms, including the use of models. Computer modeling and visualization are tools that researchers employ in their scientific inquiry process, and often computer models are used in…

Architectural Principles and Experimentation of Distributed High Performance Virtual Clusters

ERIC Educational Resources Information Center

Younge, Andrew J.

2016-01-01

With the advent of virtualization and Infrastructure-as-a-Service (IaaS), the broader scientific computing community is considering the use of clouds for their scientific computing needs. This is due to the relative scalability, ease of use, advanced user environment customization abilities, and the many novel computing paradigms available for…

An Analysis on the Effect of Computer Self-Efficacy over Scientific Research Self-Efficacy and Information Literacy Self-Efficacy

ERIC Educational Resources Information Center

Tuncer, Murat

2013-01-01

Present research investigates reciprocal relations amidst computer self-efficacy, scientific research and information literacy self-efficacy. Research findings have demonstrated that according to standardized regression coefficients, computer self-efficacy has a positive effect on information literacy self-efficacy. Likewise it has been detected…

The Impact of Three-Dimensional Computational Modeling on Student Understanding of Astronomical Concepts: A Quantitative Analysis

ERIC Educational Resources Information Center

Hansen, John; Barnett, Michael; MaKinster, James; Keating, Thomas

2004-01-01

The increased availability of computational modeling software has created opportunities for students to engage in scientific inquiry through constructing computer-based models of scientific phenomena. However, despite the growing trend of integrating technology into science curricula, educators need to understand what aspects of these technologies…

Evaluation of Cache-based Superscalar and Cacheless Vector Architectures for Scientific Computations

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Carter, Jonathan; Shalf, John; Skinner, David; Ethier, Stephane; Biswas, Rupak; Djomehri, Jahed; VanderWijngaart, Rob

2003-01-01

The growing gap between sustained and peak performance for scientific applications has become a well-known problem in high performance computing. The recent development of parallel vector systems offers the potential to bridge this gap for a significant number of computational science codes and deliver a substantial increase in computing capabilities. This paper examines the intranode performance of the NEC SX6 vector processor and the cache-based IBM Power3/4 superscalar architectures across a number of key scientific computing areas. First, we present the performance of a microbenchmark suite that examines a full spectrum of low-level machine characteristics. Next, we study the behavior of the NAS Parallel Benchmarks using some simple optimizations. Finally, we evaluate the perfor- mance of several numerical codes from key scientific computing domains. Overall results demonstrate that the SX6 achieves high performance on a large fraction of our application suite and in many cases significantly outperforms the RISC-based architectures. However, certain classes of applications are not easily amenable to vectorization and would likely require extensive reengineering of both algorithm and implementation to utilize the SX6 effectively.

Adventures in supercomputing: Scientific exploration in an era of change

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

Gentry, E.; Helland, B.; Summers, B.

1997-11-01

Students deserve the opportunity to explore the world of science surrounding them. Therefore it is important that scientific exploration and investigation be a part of each student`s educational career. The Department of Energy`s Adventures in Superconducting (AiS) takes students beyond mere scientific literacy to a rich embodiment of scientific exploration. AiS provides today`s science and math students with a greater opportunity to investigate science problems, propose solutions, explore different methods of solving the problem, organize their work into a technical paper, and present their results. Students learn at different rates in different ways. Science classes with students having varying learningmore » styles and levels of achievement have always been a challenge for teachers. The AiS {open_quotes}hands-on, minds-on{close_quotes} project-based method of teaching science meets the challenge of this diversity heads on! AiS uses the development of student chosen projects as the means of achieving a lifelong enthusiasm for scientific proficiency. One goal of AiS is to emulate the research that takes place in the everyday environment of scientists. Students work in teams and often collaborate with students nationwide. With the help of mentors from the academic and scientific community, students pose a problem in science, investigate possible solutions, design a mathematical and computational model for the problem, exercise the model to achieve results, and evaluate the implications of the results. The students then have the opportunity to present the project to their peers, teachers, and scientists. Using this inquiry-based technique, students learn more than science skills, they learn to reason and think -- going well beyond the National Science Education Standard. The teacher becomes a resource person actively working together with the students in their quest for scientific knowledge.« less

USRA/RIACS

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1992-01-01

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on 6 June 1983. RIACS is privately operated by USRA, a consortium of universities with research programs in the aerospace sciences, under a cooperative agreement with NASA. The primary mission of RIACS is to provide research and expertise in computer science and scientific computing to support the scientific missions of NASA ARC. The research carried out at RIACS must change its emphasis from year to year in response to NASA ARC's changing needs and technological opportunities. A flexible scientific staff is provided through a university faculty visitor program, a post doctoral program, and a student visitor program. Not only does this provide appropriate expertise but it also introduces scientists outside of NASA to NASA problems. A small group of core RIACS staff provides continuity and interacts with an ARC technical monitor and scientific advisory group to determine the RIACS mission. RIACS activities are reviewed and monitored by a USRA advisory council and ARC technical monitor. Research at RIACS is currently being done in the following areas: Parallel Computing; Advanced Methods for Scientific Computing; Learning Systems; High Performance Networks and Technology; Graphics, Visualization, and Virtual Environments.

Using Computer Simulations for Promoting Model-based Reasoning. Epistemological and Educational Dimensions

NASA Astrophysics Data System (ADS)

Develaki, Maria

2017-11-01

Scientific reasoning is particularly pertinent to science education since it is closely related to the content and methodologies of science and contributes to scientific literacy. Much of the research in science education investigates the appropriate framework and teaching methods and tools needed to promote students' ability to reason and evaluate in a scientific way. This paper aims (a) to contribute to an extended understanding of the nature and pedagogical importance of model-based reasoning and (b) to exemplify how using computer simulations can support students' model-based reasoning. We provide first a background for both scientific reasoning and computer simulations, based on the relevant philosophical views and the related educational discussion. This background suggests that the model-based framework provides an epistemologically valid and pedagogically appropriate basis for teaching scientific reasoning and for helping students develop sounder reasoning and decision-taking abilities and explains how using computer simulations can foster these abilities. We then provide some examples illustrating the use of computer simulations to support model-based reasoning and evaluation activities in the classroom. The examples reflect the procedure and criteria for evaluating models in science and demonstrate the educational advantages of their application in classroom reasoning activities.

First-principles characterization of formate and carboxyl adsorption on the stoichiometric CeO2(111) and CeO2(110) surfaces

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

Mei, Donghai

2013-05-20

Molecular adsorption of formate and carboxyl on the stoichiometric CeO2(111) and CeO2(110) surfaces was studied using periodic density functional theory (DFT+U) calculations. Two distinguishable adsorption modes (strong and weak) of formate are identified. The bidentate configuration is more stable than the monodentate adsorption configuration. Both formate and carboxyl bind at the more open CeO2(110) surface are stronger. The calculated vibrational frequencies of two adsorbed species are consistent with experimental measurements. Finally, the effects of U parameters on the adsorption of formate and carboxyl over both CeO2 surfaces were investigated. We found that the geometrical configurations of two adsorbed species aremore » not affected by using different U parameters (U=0, 5, and 7). However, the calculated adsorption energy of carboxyl pronouncedly increases with the U value while the adsorption energy of formate only slightly changes (<0.2 eV). The Bader charge analysis shows the opposite charge transfer occurs for formate and carboxyl adsorption where the adsorbed formate is negatively charge whiled the adsorbed carboxyl is positively charged. Interestingly, with the increasing U parameter, the amount of charge is also increased. This work was supported by the Laboratory Directed Research and Development (LDRD) project of the Pacific Northwest National Laboratory (PNNL) and by a Cooperative Research and Development Agreement (CRADA) with General Motors. The computations were performed using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at PNNL in Richland, Washington. Part of the computing time was also granted by the National Energy Research Scientific Computing Center (NERSC)« less

ASCR Cybersecurity for Scientific Computing Integrity

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

Piesert, Sean

The Department of Energy (DOE) has the responsibility to address the energy, environmental, and nuclear security challenges that face our nation. Much of DOE’s enterprise involves distributed, collaborative teams; a signi¬cant fraction involves “open science,” which depends on multi-institutional, often international collaborations that must access or share signi¬cant amounts of information between institutions and over networks around the world. The mission of the Office of Science is the delivery of scienti¬c discoveries and major scienti¬c tools to transform our understanding of nature and to advance the energy, economic, and national security of the United States. The ability of DOE tomore » execute its responsibilities depends critically on its ability to assure the integrity and availability of scienti¬c facilities and computer systems, and of the scienti¬c, engineering, and operational software and data that support its mission.« less

Ultra-scale Visualization Climate Data Analysis Tools (UV-CDAT)

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

Williams, Dean N.; Silva, Claudio

2013-09-30

For the past three years, a large analysis and visualization effort—funded by the Department of Energy’s Office of Biological and Environmental Research (BER), the National Aeronautics and Space Administration (NASA), and the National Oceanic and Atmospheric Administration (NOAA)—has brought together a wide variety of industry-standard scientific computing libraries and applications to create Ultra-scale Visualization Climate Data Analysis Tools (UV-CDAT) to serve the global climate simulation and observational research communities. To support interactive analysis and visualization, all components connect through a provenance application–programming interface to capture meaningful history and workflow. Components can be loosely coupled into the framework for fast integrationmore » or tightly coupled for greater system functionality and communication with other components. The overarching goal of UV-CDAT is to provide a new paradigm for access to and analysis of massive, distributed scientific data collections by leveraging distributed data architectures located throughout the world. The UV-CDAT framework addresses challenges in analysis and visualization and incorporates new opportunities, including parallelism for better efficiency, higher speed, and more accurate scientific inferences. Today, it provides more than 600 users access to more analysis and visualization products than any other single source.« less

Helios: Understanding Solar Evolution Through Text Analytics

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

Randazzese, Lucien

This proof-of-concept project focused on developing, testing, and validating a range of bibliometric, text analytic, and machine-learning based methods to explore the evolution of three photovoltaic (PV) technologies: Cadmium Telluride (CdTe), Dye-Sensitized solar cells (DSSC), and Multi-junction solar cells. The analytical approach to the work was inspired by previous work by the same team to measure and predict the scientific prominence of terms and entities within specific research domains. The goal was to create tools that could assist domain-knowledgeable analysts in investigating the history and path of technological developments in general, with a focus on analyzing step-function changes in performance,more » or “breakthroughs,” in particular. The text-analytics platform developed during this project was dubbed Helios. The project relied on computational methods for analyzing large corpora of technical documents. For this project we ingested technical documents from the following sources into Helios: Thomson Scientific Web of Science (papers), the U.S. Patent & Trademark Office (patents), the U.S. Department of Energy (technical documents), the U.S. National Science Foundation (project funding summaries), and a hand curated set of full-text documents from Thomson Scientific and other sources.« less

A toolbox and a record for scientific model development

NASA Technical Reports Server (NTRS)

Ellman, Thomas

1994-01-01

Scientific computation can benefit from software tools that facilitate construction of computational models, control the application of models, and aid in revising models to handle new situations. Existing environments for scientific programming provide only limited means of handling these tasks. This paper describes a two pronged approach for handling these tasks: (1) designing a 'Model Development Toolbox' that includes a basic set of model constructing operations; and (2) designing a 'Model Development Record' that is automatically generated during model construction. The record is subsequently exploited by tools that control the application of scientific models and revise models to handle new situations. Our two pronged approach is motivated by our belief that the model development toolbox and record should be highly interdependent. In particular, a suitable model development record can be constructed only when models are developed using a well defined set of operations. We expect this research to facilitate rapid development of new scientific computational models, to help ensure appropriate use of such models and to facilitate sharing of such models among working computational scientists. We are testing this approach by extending SIGMA, and existing knowledge-based scientific software design tool.

The Petascale Data Storage Institute

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

Gibson, Garth; Long, Darrell; Honeyman, Peter

2013-07-01

Petascale computing infrastructures for scientific discovery make petascale demands on information storage capacity, performance, concurrency, reliability, availability, and manageability.The Petascale Data Storage Institute focuses on the data storage problems found in petascale scientific computing environments, with special attention to community issues such as interoperability, community buy-in, and shared tools.The Petascale Data Storage Institute is a collaboration between researchers at Carnegie Mellon University, National Energy Research Scientific Computing Center, Pacific Northwest National Laboratory, Oak Ridge National Laboratory, Sandia National Laboratory, Los Alamos National Laboratory, University of Michigan, and the University of California at Santa Cruz.

The need for scientific software engineering in the pharmaceutical industry

NASA Astrophysics Data System (ADS)

Luty, Brock; Rose, Peter W.

2017-03-01

Scientific software engineering is a distinct discipline from both computational chemistry project support and research informatics. A scientific software engineer not only has a deep understanding of the science of drug discovery but also the desire, skills and time to apply good software engineering practices. A good team of scientific software engineers can create a software foundation that is maintainable, validated and robust. If done correctly, this foundation enable the organization to investigate new and novel computational ideas with a very high level of efficiency.

The need for scientific software engineering in the pharmaceutical industry.

PubMed

Luty, Brock; Rose, Peter W

2017-03-01

Scientific software engineering is a distinct discipline from both computational chemistry project support and research informatics. A scientific software engineer not only has a deep understanding of the science of drug discovery but also the desire, skills and time to apply good software engineering practices. A good team of scientific software engineers can create a software foundation that is maintainable, validated and robust. If done correctly, this foundation enable the organization to investigate new and novel computational ideas with a very high level of efficiency.

Understanding the Performance and Potential of Cloud Computing for Scientific Applications

DOE PAGES

Sadooghi, Iman; Martin, Jesus Hernandez; Li, Tonglin; ...

2015-02-19

In this paper, commercial clouds bring a great opportunity to the scientific computing area. Scientific applications usually require significant resources, however not all scientists have access to sufficient high-end computing systems, may of which can be found in the Top500 list. Cloud Computing has gained the attention of scientists as a competitive resource to run HPC applications at a potentially lower cost. But as a different infrastructure, it is unclear whether clouds are capable of running scientific applications with a reasonable performance per money spent. This work studies the performance of public clouds and places this performance in context tomore » price. We evaluate the raw performance of different services of AWS cloud in terms of the basic resources, such as compute, memory, network and I/O. We also evaluate the performance of the scientific applications running in the cloud. This paper aims to assess the ability of the cloud to perform well, as well as to evaluate the cost of the cloud running scientific applications. We developed a full set of metrics and conducted a comprehensive performance evlauation over the Amazon cloud. We evaluated EC2, S3, EBS and DynamoDB among the many Amazon AWS services. We evaluated the memory sub-system performance with CacheBench, the network performance with iperf, processor and network performance with the HPL benchmark application, and shared storage with NFS and PVFS in addition to S3. We also evaluated a real scientific computing application through the Swift parallel scripting system at scale. Armed with both detailed benchmarks to gauge expected performance and a detailed monetary cost analysis, we expect this paper will be a recipe cookbook for scientists to help them decide where to deploy and run their scientific applications between public clouds, private clouds, or hybrid clouds.« less

Understanding the Performance and Potential of Cloud Computing for Scientific Applications

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

Sadooghi, Iman; Martin, Jesus Hernandez; Li, Tonglin

In this paper, commercial clouds bring a great opportunity to the scientific computing area. Scientific applications usually require significant resources, however not all scientists have access to sufficient high-end computing systems, may of which can be found in the Top500 list. Cloud Computing has gained the attention of scientists as a competitive resource to run HPC applications at a potentially lower cost. But as a different infrastructure, it is unclear whether clouds are capable of running scientific applications with a reasonable performance per money spent. This work studies the performance of public clouds and places this performance in context tomore » price. We evaluate the raw performance of different services of AWS cloud in terms of the basic resources, such as compute, memory, network and I/O. We also evaluate the performance of the scientific applications running in the cloud. This paper aims to assess the ability of the cloud to perform well, as well as to evaluate the cost of the cloud running scientific applications. We developed a full set of metrics and conducted a comprehensive performance evlauation over the Amazon cloud. We evaluated EC2, S3, EBS and DynamoDB among the many Amazon AWS services. We evaluated the memory sub-system performance with CacheBench, the network performance with iperf, processor and network performance with the HPL benchmark application, and shared storage with NFS and PVFS in addition to S3. We also evaluated a real scientific computing application through the Swift parallel scripting system at scale. Armed with both detailed benchmarks to gauge expected performance and a detailed monetary cost analysis, we expect this paper will be a recipe cookbook for scientists to help them decide where to deploy and run their scientific applications between public clouds, private clouds, or hybrid clouds.« less

77 FR 62523 - Scientific Earthquake Studies Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-15

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78 FR 64973 - Scientific Earthquake Studies Advisory Committee (SESAC)

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2013-10-30

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77 FR 38610 - Privacy Act of 1974; Computer Matching Program

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2012-06-28

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75 FR 65639 - Center for Scientific Review; Notice of Closed Meetings

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-26

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The Effects of Inquiry-Based Computer Simulation with Cooperative Learning on Scientific Thinking and Conceptual Understanding of Gas Laws

ERIC Educational Resources Information Center

Abdullah, Sopiah; Shariff, Adilah

2008-01-01

The purpose of the study was to investigate the effects of inquiry-based computer simulation with heterogeneous-ability cooperative learning (HACL) and inquiry-based computer simulation with friendship cooperative learning (FCL) on (a) scientific reasoning (SR) and (b) conceptual understanding (CU) among Form Four students in Malaysian Smart…

30 CFR 280.21 - What must I do in conducting G&G prospecting or scientific research?

Code of Federal Regulations, 2010 CFR

2010-07-01

... scientific research? 280.21 Section 280.21 Mineral Resources MINERALS MANAGEMENT SERVICE, DEPARTMENT OF THE... prospecting or scientific research? While conducting G&G prospecting or scientific research activities under a... you are prospecting or conducting scientific research activities. (b) Consult and coordinate your G&G...

ORNL Cray X1 evaluation status report

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

Agarwal, P.K.; Alexander, R.A.; Apra, E.

2004-05-01

On August 15, 2002 the Department of Energy (DOE) selected the Center for Computational Sciences (CCS) at Oak Ridge National Laboratory (ORNL) to deploy a new scalable vector supercomputer architecture for solving important scientific problems in climate, fusion, biology, nanoscale materials and astrophysics. ''This program is one of the first steps in an initiative designed to provide U.S. scientists with the computational power that is essential to 21st century scientific leadership,'' said Dr. Raymond L. Orbach, director of the department's Office of Science. In FY03, CCS procured a 256-processor Cray X1 to evaluate the processors, memory subsystem, scalability of themore » architecture, software environment and to predict the expected sustained performance on key DOE applications codes. The results of the micro-benchmarks and kernel bench marks show the architecture of the Cray X1 to be exceptionally fast for most operations. The best results are shown on large problems, where it is not possible to fit the entire problem into the cache of the processors. These large problems are exactly the types of problems that are important for the DOE and ultra-scale simulation. Application performance is found to be markedly improved by this architecture: - Large-scale simulations of high-temperature superconductors run 25 times faster than on an IBM Power4 cluster using the same number of processors. - Best performance of the parallel ocean program (POP v1.4.3) is 50 percent higher than on Japan s Earth Simulator and 5 times higher than on an IBM Power4 cluster. - A fusion application, global GYRO transport, was found to be 16 times faster on the X1 than on an IBM Power3. The increased performance allowed simulations to fully resolve questions raised by a prior study. - The transport kernel in the AGILE-BOLTZTRAN astrophysics code runs 15 times faster than on an IBM Power4 cluster using the same number of processors. - Molecular dynamics simulations related to the phenomenon of photon echo run 8 times faster than previously achieved. Even at 256 processors, the Cray X1 system is already outperforming other supercomputers with thousands of processors for a certain class of applications such as climate modeling and some fusion applications. This evaluation is the outcome of a number of meetings with both high-performance computing (HPC) system vendors and application experts over the past 9 months and has received broad-based support from the scientific community and other agencies.« less

78 FR 39298 - Center for Scientific Review; Notice of Closed Meetings

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2013-07-01

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75 FR 2159 - Scientific Earthquake Studies Advisory Committee

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2010-01-14

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76 FR 61113 - Scientific Earthquake Studies Advisory Committee

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2011-10-03

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2013-03-28

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2012-02-29

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77 FR 68138 - Center for Scientific Review; Notice of Closed Meetings

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2012-11-15

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78 FR 61377 - Center for Scientific Review; Notice of Closed Meetings

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2013-10-03

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76 FR 35225 - Center for Scientific Review; Notice of Closed Meetings

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2011-06-16

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75 FR 61767 - Center For Scientific Review; Notice of Closed Meetings

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48 CFR 935.010 - Scientific and technical reports.

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2013-10-01

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48 CFR 935.010 - Scientific and technical reports.

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2011-10-01

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2014-10-01

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RIACS/USRA

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1993-01-01

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on 6 June 1983. RIACS is privately operated by USRA, a consortium of universities with research programs in the aerospace sciences, under contract with NASA. The primary mission of RIACS is to provide research and expertise in computer science and scientific computing to support the scientific missions of NASA ARC. The research carried out at RIACS must change its emphasis from year to year in response to NASA ARC's changing needs and technological opportunities. A flexible scientific staff is provided through a university faculty visitor program, a post doctoral program, and a student visitor program. Not only does this provide appropriate expertise but it also introduces scientists outside of NASA to NASA problems. A small group of core RIACS staff provides continuity and interacts with an ARC technical monitor and scientific advisory group to determine the RIACS mission. RIACS activities are reviewed and monitored by a USRA advisory council and ARC technical monitor. Research at RIACS is currently being done in the following areas: Parallel Computing, Advanced Methods for Scientific Computing, High Performance Networks and Technology, and Learning Systems. Parallel compiler techniques, adaptive numerical methods for flows in complicated geometries, and optimization were identified as important problems to investigate for ARC's involvement in the Computational Grand Challenges of the next decade.

The emergence of spatial cyberinfrastructure.

PubMed

Wright, Dawn J; Wang, Shaowen

2011-04-05

Cyberinfrastructure integrates advanced computer, information, and communication technologies to empower computation-based and data-driven scientific practice and improve the synthesis and analysis of scientific data in a collaborative and shared fashion. As such, it now represents a paradigm shift in scientific research that has facilitated easy access to computational utilities and streamlined collaboration across distance and disciplines, thereby enabling scientific breakthroughs to be reached more quickly and efficiently. Spatial cyberinfrastructure seeks to resolve longstanding complex problems of handling and analyzing massive and heterogeneous spatial datasets as well as the necessity and benefits of sharing spatial data flexibly and securely. This article provides an overview and potential future directions of spatial cyberinfrastructure. The remaining four articles of the special feature are introduced and situated in the context of providing empirical examples of how spatial cyberinfrastructure is extending and enhancing scientific practice for improved synthesis and analysis of both physical and social science data. The primary focus of the articles is spatial analyses using distributed and high-performance computing, sensor networks, and other advanced information technology capabilities to transform massive spatial datasets into insights and knowledge.

The emergence of spatial cyberinfrastructure

PubMed Central

Wright, Dawn J.; Wang, Shaowen

2011-01-01

Cyberinfrastructure integrates advanced computer, information, and communication technologies to empower computation-based and data-driven scientific practice and improve the synthesis and analysis of scientific data in a collaborative and shared fashion. As such, it now represents a paradigm shift in scientific research that has facilitated easy access to computational utilities and streamlined collaboration across distance and disciplines, thereby enabling scientific breakthroughs to be reached more quickly and efficiently. Spatial cyberinfrastructure seeks to resolve longstanding complex problems of handling and analyzing massive and heterogeneous spatial datasets as well as the necessity and benefits of sharing spatial data flexibly and securely. This article provides an overview and potential future directions of spatial cyberinfrastructure. The remaining four articles of the special feature are introduced and situated in the context of providing empirical examples of how spatial cyberinfrastructure is extending and enhancing scientific practice for improved synthesis and analysis of both physical and social science data. The primary focus of the articles is spatial analyses using distributed and high-performance computing, sensor networks, and other advanced information technology capabilities to transform massive spatial datasets into insights and knowledge. PMID:21467227

Computer-simulated laboratory explorations for middle school life, earth, and physical Science

NASA Astrophysics Data System (ADS)

von Blum, Ruth

1992-06-01

Explorations in Middle School Science is a set of 72 computer-simulated laboratory lessons in life, earth, and physical Science for grades 6 9 developed by Jostens Learning Corporation with grants from the California State Department of Education and the National Science Foundation.3 At the heart of each lesson is a computer-simulated laboratory that actively involves students in doing science improving their: (1) understanding of science concepts by applying critical thinking to solve real problems; (2) skills in scientific processes and communications; and (3) attitudes about science. Students use on-line tools (notebook, calculator, word processor) to undertake in-depth investigations of phenomena (like motion in outer space, disease transmission, volcanic eruptions, or the structure of the atom) that would be too difficult, dangerous, or outright impossible to do in a “live” laboratory. Suggested extension activities lead students to hands-on investigations, away from the computer. This article presents the underlying rationale, instructional model, and process by which Explorations was designed and developed. It also describes the general courseware structure and three lesson's in detail, as well as presenting preliminary data from the evaluation. Finally, it suggests a model for incorporating technology into the science classroom.

Evolution of the Virtualized HPC Infrastructure of Novosibirsk Scientific Center

NASA Astrophysics Data System (ADS)

Adakin, A.; Anisenkov, A.; Belov, S.; Chubarov, D.; Kalyuzhny, V.; Kaplin, V.; Korol, A.; Kuchin, N.; Lomakin, S.; Nikultsev, V.; Skovpen, K.; Sukharev, A.; Zaytsev, A.

2012-12-01

Novosibirsk Scientific Center (NSC), also known worldwide as Akademgorodok, is one of the largest Russian scientific centers hosting Novosibirsk State University (NSU) and more than 35 research organizations of the Siberian Branch of Russian Academy of Sciences including Budker Institute of Nuclear Physics (BINP), Institute of Computational Technologies, and Institute of Computational Mathematics and Mathematical Geophysics (ICM&MG). Since each institute has specific requirements on the architecture of computing farms involved in its research field, currently we've got several computing facilities hosted by NSC institutes, each optimized for a particular set of tasks, of which the largest are the NSU Supercomputer Center, Siberian Supercomputer Center (ICM&MG), and a Grid Computing Facility of BINP. A dedicated optical network with the initial bandwidth of 10 Gb/s connecting these three facilities was built in order to make it possible to share the computing resources among the research communities, thus increasing the efficiency of operating the existing computing facilities and offering a common platform for building the computing infrastructure for future scientific projects. Unification of the computing infrastructure is achieved by extensive use of virtualization technology based on XEN and KVM platforms. This contribution gives a thorough review of the present status and future development prospects for the NSC virtualized computing infrastructure and the experience gained while using it for running production data analysis jobs related to HEP experiments being carried out at BINP, especially the KEDR detector experiment at the VEPP-4M electron-positron collider.

78 FR 33427 - Center for Scientific Review; Notice of Closed Meetings

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Position Paper: Applying Machine Learning to Software Analysis to Achieve Trusted, Repeatable Scientific Computing

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

Prowell, Stacy J; Symons, Christopher T

2015-01-01

Producing trusted results from high-performance codes is essential for policy and has significant economic impact. We propose combining rigorous analytical methods with machine learning techniques to achieve the goal of repeatable, trustworthy scientific computing.

Cryogenic Memories based on Spin-Singlet and Spin-Triplet Ferromagnetic Josephson Junctions

NASA Astrophysics Data System (ADS)

Gingrich, Eric

The last several decades have seen an explosion in the use and size of computers for scientific applications. The US Department of Energy has set an ExaScale computing goal for high performance computing that is projected to be unattainable by current CMOS computing designs. This has led to a renewed interest in superconducting computing as a means of beating these projections. One of the primary requirements of this thrust is the development of an efficient cryogenic memory. Estimates of power consumption of early Rapid Single Flux Quantum (RSFQ) memory designs are on the order of MW, far too steep for any real application. Therefore, other memory concepts are required. S/F/S Josephson Junctions, a class of device in which two superconductors (S) are separated by one or more ferromagnetic layers (F) has shown promise as a memory element. Several different systems have been proposed utilizing either the spin-singlet or spin-triplet superconducting states. This talk will discuss the concepts underpinning these devices, and the recent work done to demonstrate their feasibility. This research is supported in part by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), via U.S. Army Research Office Contract W911NF-14-C-0115.

2K09 and thereafter : the coming era of integrative bioinformatics, systems biology and intelligent computing for functional genomics and personalized medicine research.

PubMed

Yang, Jack Y; Niemierko, Andrzej; Bajcsy, Ruzena; Xu, Dong; Athey, Brian D; Zhang, Aidong; Ersoy, Okan K; Li, Guo-Zheng; Borodovsky, Mark; Zhang, Joe C; Arabnia, Hamid R; Deng, Youping; Dunker, A Keith; Liu, Yunlong; Ghafoor, Arif

2010-12-01

Significant interest exists in establishing synergistic research in bioinformatics, systems biology and intelligent computing. Supported by the United States National Science Foundation (NSF), International Society of Intelligent Biological Medicine (http://www.ISIBM.org), International Journal of Computational Biology and Drug Design (IJCBDD) and International Journal of Functional Informatics and Personalized Medicine, the ISIBM International Joint Conferences on Bioinformatics, Systems Biology and Intelligent Computing (ISIBM IJCBS 2009) attracted more than 300 papers and 400 researchers and medical doctors world-wide. It was the only inter/multidisciplinary conference aimed to promote synergistic research and education in bioinformatics, systems biology and intelligent computing. The conference committee was very grateful for the valuable advice and suggestions from honorary chairs, steering committee members and scientific leaders including Dr. Michael S. Waterman (USC, Member of United States National Academy of Sciences), Dr. Chih-Ming Ho (UCLA, Member of United States National Academy of Engineering and Academician of Academia Sinica), Dr. Wing H. Wong (Stanford, Member of United States National Academy of Sciences), Dr. Ruzena Bajcsy (UC Berkeley, Member of United States National Academy of Engineering and Member of United States Institute of Medicine of the National Academies), Dr. Mary Qu Yang (United States National Institutes of Health and Oak Ridge, DOE), Dr. Andrzej Niemierko (Harvard), Dr. A. Keith Dunker (Indiana), Dr. Brian D. Athey (Michigan), Dr. Weida Tong (FDA, United States Department of Health and Human Services), Dr. Cathy H. Wu (Georgetown), Dr. Dong Xu (Missouri), Drs. Arif Ghafoor and Okan K Ersoy (Purdue), Dr. Mark Borodovsky (Georgia Tech, President of ISIBM), Dr. Hamid R. Arabnia (UGA, Vice-President of ISIBM), and other scientific leaders. The committee presented the 2009 ISIBM Outstanding Achievement Awards to Dr. Joydeep Ghosh (UT Austin), Dr. Aidong Zhang (Buffalo) and Dr. Zhi-Hua Zhou (Nanjing) for their significant contributions to the field of intelligent biological medicine.

2K09 and thereafter : the coming era of integrative bioinformatics, systems biology and intelligent computing for functional genomics and personalized medicine research

PubMed Central

2010-01-01

Significant interest exists in establishing synergistic research in bioinformatics, systems biology and intelligent computing. Supported by the United States National Science Foundation (NSF), International Society of Intelligent Biological Medicine (http://www.ISIBM.org), International Journal of Computational Biology and Drug Design (IJCBDD) and International Journal of Functional Informatics and Personalized Medicine, the ISIBM International Joint Conferences on Bioinformatics, Systems Biology and Intelligent Computing (ISIBM IJCBS 2009) attracted more than 300 papers and 400 researchers and medical doctors world-wide. It was the only inter/multidisciplinary conference aimed to promote synergistic research and education in bioinformatics, systems biology and intelligent computing. The conference committee was very grateful for the valuable advice and suggestions from honorary chairs, steering committee members and scientific leaders including Dr. Michael S. Waterman (USC, Member of United States National Academy of Sciences), Dr. Chih-Ming Ho (UCLA, Member of United States National Academy of Engineering and Academician of Academia Sinica), Dr. Wing H. Wong (Stanford, Member of United States National Academy of Sciences), Dr. Ruzena Bajcsy (UC Berkeley, Member of United States National Academy of Engineering and Member of United States Institute of Medicine of the National Academies), Dr. Mary Qu Yang (United States National Institutes of Health and Oak Ridge, DOE), Dr. Andrzej Niemierko (Harvard), Dr. A. Keith Dunker (Indiana), Dr. Brian D. Athey (Michigan), Dr. Weida Tong (FDA, United States Department of Health and Human Services), Dr. Cathy H. Wu (Georgetown), Dr. Dong Xu (Missouri), Drs. Arif Ghafoor and Okan K Ersoy (Purdue), Dr. Mark Borodovsky (Georgia Tech, President of ISIBM), Dr. Hamid R. Arabnia (UGA, Vice-President of ISIBM), and other scientific leaders. The committee presented the 2009 ISIBM Outstanding Achievement Awards to Dr. Joydeep Ghosh (UT Austin), Dr. Aidong Zhang (Buffalo) and Dr. Zhi-Hua Zhou (Nanjing) for their significant contributions to the field of intelligent biological medicine. PMID:21143775

Quantum Testbeds Stakeholder Workshop (QTSW) Report meeting purpose and agenda.

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

Hebner, Gregory A.

Quantum computing (QC) is a promising early-stage technology with the potential to provide scientific computing capabilities far beyond what is possible with even an Exascale computer in specific problems of relevance to the Office of Science. These include (but are not limited to) materials modeling, molecular dynamics, and quantum chromodynamics. However, commercial QC systems are not yet available and the technical maturity of current QC hardware, software, algorithms, and systems integration is woefully incomplete. Thus, there is a significant opportunity for DOE to define the technology building blocks, and solve the system integration issues to enable a revolutionary tool. Oncemore » realized, QC will have world changing impact on economic competitiveness, the scientific enterprise, and citizen well-being. Prior to this workshop, DOE / Office of Advanced Scientific Computing Research (ASCR) hosted a workshop in 2015 to explore QC scientific applications. The goal of that workshop was to assess the viability of QC technologies to meet the computational requirements in support of DOE’s science and energy mission and to identify the potential impact of these technologies.« less

Investigating power capping toward energy-efficient scientific applications: Investigating Power Capping toward Energy-Efficient Scientific Applications

DOE PAGES

Haidar, Azzam; Jagode, Heike; Vaccaro, Phil; ...

2018-03-22

The emergence of power efficiency as a primary constraint in processor and system design poses new challenges concerning power and energy awareness for numerical libraries and scientific applications. Power consumption also plays a major role in the design of data centers, which may house petascale or exascale-level computing systems. At these extreme scales, understanding and improving the energy efficiency of numerical libraries and their related applications becomes a crucial part of the successful implementation and operation of the computing system. In this paper, we study and investigate the practice of controlling a compute system's power usage, and we explore howmore » different power caps affect the performance of numerical algorithms with different computational intensities. Further, we determine the impact, in terms of performance and energy usage, that these caps have on a system running scientific applications. This analysis will enable us to characterize the types of algorithms that benefit most from these power management schemes. Our experiments are performed using a set of representative kernels and several popular scientific benchmarks. Lastly, we quantify a number of power and performance measurements and draw observations and conclusions that can be viewed as a roadmap to achieving energy efficiency in the design and execution of scientific algorithms.« less

Investigating power capping toward energy-efficient scientific applications: Investigating Power Capping toward Energy-Efficient Scientific Applications

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

Haidar, Azzam; Jagode, Heike; Vaccaro, Phil

The emergence of power efficiency as a primary constraint in processor and system design poses new challenges concerning power and energy awareness for numerical libraries and scientific applications. Power consumption also plays a major role in the design of data centers, which may house petascale or exascale-level computing systems. At these extreme scales, understanding and improving the energy efficiency of numerical libraries and their related applications becomes a crucial part of the successful implementation and operation of the computing system. In this paper, we study and investigate the practice of controlling a compute system's power usage, and we explore howmore » different power caps affect the performance of numerical algorithms with different computational intensities. Further, we determine the impact, in terms of performance and energy usage, that these caps have on a system running scientific applications. This analysis will enable us to characterize the types of algorithms that benefit most from these power management schemes. Our experiments are performed using a set of representative kernels and several popular scientific benchmarks. Lastly, we quantify a number of power and performance measurements and draw observations and conclusions that can be viewed as a roadmap to achieving energy efficiency in the design and execution of scientific algorithms.« less

A Computing Environment to Support Repeatable Scientific Big Data Experimentation of World-Wide Scientific Literature

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

Schlicher, Bob G; Kulesz, James J; Abercrombie, Robert K

A principal tenant of the scientific method is that experiments must be repeatable and relies on ceteris paribus (i.e., all other things being equal). As a scientific community, involved in data sciences, we must investigate ways to establish an environment where experiments can be repeated. We can no longer allude to where the data comes from, we must add rigor to the data collection and management process from which our analysis is conducted. This paper describes a computing environment to support repeatable scientific big data experimentation of world-wide scientific literature, and recommends a system that is housed at the Oakmore » Ridge National Laboratory in order to provide value to investigators from government agencies, academic institutions, and industry entities. The described computing environment also adheres to the recently instituted digital data management plan mandated by multiple US government agencies, which involves all stages of the digital data life cycle including capture, analysis, sharing, and preservation. It particularly focuses on the sharing and preservation of digital research data. The details of this computing environment are explained within the context of cloud services by the three layer classification of Software as a Service , Platform as a Service , and Infrastructure as a Service .« less

Tele-education as method of medical education.

PubMed

Masic, Izet; Pandza, Haris; Kulasin, Igor; Masic, Zlatan; Valjevac, Salih

2009-01-01

Development of computer networks and introduction and application of new technologies in all aspects of human activity needs to be followed by universities in their transformation on how to approach scientific, research, and education teaching curricula. Development and increased use of distance learning (DL) over the past decade have clearly shown the potential and efficiency of information technology applied in education. Use of information technology in medical education is where medical informatics takes its place as important scientific discipline which ensures benefit from IT in teaching and learning process involved. Definition of telemedicine as "use of technologies based on health care delivered on distance" covers areas such as electronic health, tele-health (eHealth), telematics, but also tele-education. Web based medical education today is offered in different forms--from online lectures, online exams, web based continuous education programs, use of electronic libraries, online medical and scientific databases etc. Department of Medical Informatics of Medical Faculty of University of Sarajevo has taken many steps to introduce distance learning in medical curricula--from organising professional--scientific events (congresses, workshop etc), organizing first tele-exam at the faculty and among first at the university, to offering online lectures and online education material at the Department's website (www.unsa-medinfo.org). Distance learning in medical education, as well as telemedicine, significantly influence health care in general and are shaping the future model of medical practice. Basic computer and networks skills must be a part of all future medical curricula. The impact of technical equipment on patient-doctor relationship must be taken into account, and doctors have to be trained and prepared for diagnosing or consulting patients by use of IT. Telemedicine requires special approach in certain medical fields--tele-consultation, tele-surgery, tele-radiology and other specific telemedicine applications should be introduced to the curricula. Telemedicine and distance learning are best suited for medical education and doctor-to-doctor consultation--first contact between doctor and a patient should stay face-to-face when possible. In this paper, we present the results of the project Introduction and Implementation of Distance Learning at the Medical Faculty of University of Sarajevo and compare it with the following expected outcomes: development and integration of information technology in medical education; creation of flexible infrastructure which will enable access to e-learning to all students and teaching staff; improvement of digital literacy of academic population; ensuring high educational standards to students and teaching staff; helping medical staffto develop "life-long learning" approach in work and education.

78 FR 6854 - Health Services Research and Development Service Scientific Merit Review Board; Notice of Meeting

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2013-01-31

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77 FR 4043 - Scientific Information Request on the Use of Natriuretic Peptide Measurement in the Management of...

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2012-01-26

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[Scientific and practical activity of the Department of Muscle Biochemistry of the Palladin Institute of Biochemistry of NAS of Ukraine].

PubMed

Vynogradova, R P; Danilova, V M; Yurasova, S P

2017-01-01

The article focuses on scientific and practical activity of the Department of Muscle Biochemistry of the Palladin Institute of Biochemistry of NAS of Ukraine in the context of its foundation and development. Main findings and practical achievements in the area of muscle biochemistry are summarized and discussed.

Idle waves in high-performance computing

NASA Astrophysics Data System (ADS)

Markidis, Stefano; Vencels, Juris; Peng, Ivy Bo; Akhmetova, Dana; Laure, Erwin; Henri, Pierre

2015-01-01

The vast majority of parallel scientific applications distributes computation among processes that are in a busy state when computing and in an idle state when waiting for information from other processes. We identify the propagation of idle waves through processes in scientific applications with a local information exchange between the two processes. Idle waves are nondispersive and have a phase velocity inversely proportional to the average busy time. The physical mechanism enabling the propagation of idle waves is the local synchronization between two processes due to remote data dependency. This study provides a description of the large number of processes in parallel scientific applications as a continuous medium. This work also is a step towards an understanding of how localized idle periods can affect remote processes, leading to the degradation of global performance in parallel scientific applications.

Comparisons of some large scientific computers

NASA Technical Reports Server (NTRS)

Credeur, K. R.

1981-01-01

In 1975, the National Aeronautics and Space Administration (NASA) began studies to assess the technical and economic feasibility of developing a computer having sustained computational speed of one billion floating point operations per second and a working memory of at least 240 million words. Such a powerful computer would allow computational aerodynamics to play a major role in aeronautical design and advanced fluid dynamics research. Based on favorable results from these studies, NASA proceeded with developmental plans. The computer was named the Numerical Aerodynamic Simulator (NAS). To help insure that the estimated cost, schedule, and technical scope were realistic, a brief study was made of past large scientific computers. Large discrepancies between inception and operation in scope, cost, or schedule were studied so that they could be minimized with NASA's proposed new compter. The main computers studied were the ILLIAC IV, STAR 100, Parallel Element Processor Ensemble (PEPE), and Shuttle Mission Simulator (SMS) computer. Comparison data on memory and speed were also obtained on the IBM 650, 704, 7090, 360-50, 360-67, 360-91, and 370-195; the CDC 6400, 6600, 7600, CYBER 203, and CYBER 205; CRAY 1; and the Advanced Scientific Computer (ASC). A few lessons learned conclude the report.

USSR Report: Cybernetics, Computers and Automation Technology. No. 69.

DTIC Science & Technology

1983-05-06

computers in multiprocessor and multistation design , control and scientific research automation systems. The results of comparing the efficiency of...Podvizhnaya, Scientific Research Institute of Control Computers, Severodonetsk] [Text] The most significant change in the design of the SM-2M compared to...UPRAVLYAYUSHCHIYE SISTEMY I MASHINY, Nov-Dec 82) 95 APPLICATIONS Kiev Automated Control System, Design Features and Prospects for Development (V. A

Analysis and design of energy monitoring platform for smart city

NASA Astrophysics Data System (ADS)

Wang, Hong-xia

2016-09-01

The development and utilization of energy has greatly promoted the development and progress of human society. It is the basic material foundation for human survival. City running is bound to consume energy inevitably, but it also brings a lot of waste discharge. In order to speed up the process of smart city, improve the efficiency of energy saving and emission reduction work, maintain the green and livable environment, a comprehensive management platform of energy monitoring for government departments is constructed based on cloud computing technology and 3-tier architecture in this paper. It is assumed that the system will provide scientific guidance for the environment management and decision making in smart city.

Architectural requirements for the Red Storm computing system.

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

Camp, William J.; Tomkins, James Lee

This report is based on the Statement of Work (SOW) describing the various requirements for delivering 3 new supercomputer system to Sandia National Laboratories (Sandia) as part of the Department of Energy's (DOE) Accelerated Strategic Computing Initiative (ASCI) program. This system is named Red Storm and will be a distributed memory, massively parallel processor (MPP) machine built primarily out of commodity parts. The requirements presented here distill extensive architectural and design experience accumulated over a decade and a half of research, development and production operation of similar machines at Sandia. Red Storm will have an unusually high bandwidth, low latencymore » interconnect, specially designed hardware and software reliability features, a light weight kernel compute node operating system and the ability to rapidly switch major sections of the machine between classified and unclassified computing environments. Particular attention has been paid to architectural balance in the design of Red Storm, and it is therefore expected to achieve an atypically high fraction of its peak speed of 41 TeraOPS on real scientific computing applications. In addition, Red Storm is designed to be upgradeable to many times this initial peak capability while still retaining appropriate balance in key design dimensions. Installation of the Red Storm computer system at Sandia's New Mexico site is planned for 2004, and it is expected that the system will be operated for a minimum of five years following installation.« less

42 CFR 82.30 - How will NIOSH inform the public of any plans to change scientific elements underlying the dose...

Code of Federal Regulations, 2012 CFR

2012-10-01

... change scientific elements underlying the dose reconstruction process to maintain methods reasonably current with scientific progress? 82.30 Section 82.30 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF... methods reasonably current with scientific progress? Periodically, NIOSH will publish a notice in the...

42 CFR 82.30 - How will NIOSH inform the public of any plans to change scientific elements underlying the dose...

Code of Federal Regulations, 2011 CFR

2011-10-01

... change scientific elements underlying the dose reconstruction process to maintain methods reasonably current with scientific progress? 82.30 Section 82.30 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF... methods reasonably current with scientific progress? Periodically, NIOSH will publish a notice in the...

42 CFR 82.30 - How will NIOSH inform the public of any plans to change scientific elements underlying the dose...

Code of Federal Regulations, 2013 CFR

2013-10-01

... change scientific elements underlying the dose reconstruction process to maintain methods reasonably current with scientific progress? 82.30 Section 82.30 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF... methods reasonably current with scientific progress? Periodically, NIOSH will publish a notice in the...

42 CFR 82.30 - How will NIOSH inform the public of any plans to change scientific elements underlying the dose...

Code of Federal Regulations, 2014 CFR

2014-10-01

... change scientific elements underlying the dose reconstruction process to maintain methods reasonably current with scientific progress? 82.30 Section 82.30 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF... methods reasonably current with scientific progress? Periodically, NIOSH will publish a notice in the...

Announcement Notice (AN) 241.4 - Software | OSTI, US Dept of Energy Office

Science.gov Websites

of Scientific and Technical Information Skip to main content Scientific and Technical Information Program The home of the U.S. Department of Energy's Scientific and Technical Information Program ) Scientific and Technical Information (STI) products for announcement and availability. An AN includes review

RAPPORT: running scientific high-performance computing applications on the cloud.

PubMed

Cohen, Jeremy; Filippis, Ioannis; Woodbridge, Mark; Bauer, Daniela; Hong, Neil Chue; Jackson, Mike; Butcher, Sarah; Colling, David; Darlington, John; Fuchs, Brian; Harvey, Matt

2013-01-28

Cloud computing infrastructure is now widely used in many domains, but one area where there has been more limited adoption is research computing, in particular for running scientific high-performance computing (HPC) software. The Robust Application Porting for HPC in the Cloud (RAPPORT) project took advantage of existing links between computing researchers and application scientists in the fields of bioinformatics, high-energy physics (HEP) and digital humanities, to investigate running a set of scientific HPC applications from these domains on cloud infrastructure. In this paper, we focus on the bioinformatics and HEP domains, describing the applications and target cloud platforms. We conclude that, while there are many factors that need consideration, there is no fundamental impediment to the use of cloud infrastructure for running many types of HPC applications and, in some cases, there is potential for researchers to benefit significantly from the flexibility offered by cloud platforms.

High-performance scientific computing in the cloud

NASA Astrophysics Data System (ADS)

Jorissen, Kevin; Vila, Fernando; Rehr, John

2011-03-01

Cloud computing has the potential to open up high-performance computational science to a much broader class of researchers, owing to its ability to provide on-demand, virtualized computational resources. However, before such approaches can become commonplace, user-friendly tools must be developed that hide the unfamiliar cloud environment and streamline the management of cloud resources for many scientific applications. We have recently shown that high-performance cloud computing is feasible for parallelized x-ray spectroscopy calculations. We now present benchmark results for a wider selection of scientific applications focusing on electronic structure and spectroscopic simulation software in condensed matter physics. These applications are driven by an improved portable interface that can manage virtual clusters and run various applications in the cloud. We also describe a next generation of cluster tools, aimed at improved performance and a more robust cluster deployment. Supported by NSF grant OCI-1048052.

Activities of the Research Institute for Advanced Computer Science

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1994-01-01

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on June 6, 1983. RIACS is privately operated by USRA, a consortium of universities with research programs in the aerospace sciences, under contract with NASA. The primary mission of RIACS is to provide research and expertise in computer science and scientific computing to support the scientific missions of NASA ARC. The research carried out at RIACS must change its emphasis from year to year in response to NASA ARC's changing needs and technological opportunities. Research at RIACS is currently being done in the following areas: (1) parallel computing; (2) advanced methods for scientific computing; (3) high performance networks; and (4) learning systems. RIACS technical reports are usually preprints of manuscripts that have been submitted to research journals or conference proceedings. A list of these reports for the period January 1, 1994 through December 31, 1994 is in the Reports and Abstracts section of this report.

77 FR 61739 - Application(s) for Duty-Free Entry of Scientific Instruments

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-11

... DEPARTMENT OF COMMERCE International Trade Administration Application(s) for Duty-Free Entry of Scientific Instruments Pursuant to Section 6(c) of the Educational, Scientific and Cultural Materials... combustion, such as hydroxyl (OH) radicals. The [[Page 61740

DOE Radiation Research Program is floundering - NAS

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

Lobsenz, G.

1994-04-20

The Energy Department's radiation health effects research program is floundering in a morass of administrative confusion due to an ill-considered 1990 joint management agreement between DOE and the Health and Human Services Department, a National Academy of Sciences panel says. The NAS panel said the [open quotes]administrative difficulties[close quotes] created by the DOE-HHS agreement appear to be [open quotes]stifling creativity and efficiency within DOE's Epidemiology Research Program, delaying the completion and publication of research.[close quotes] The panel also expressed concern that DOE has failed to adequately fund or staff its health research office, and that the department had no mastermore » research plan to identify research needs or set forth uniform, scientifically rigorous data collection procedures. The panel said DOE's lack of commitment was particularly evident in its failure to set up an effective health surveillance program for its nuclear work force. In addition, the panel said DOE had fallen short on promises to create a comprehensive computer bank of health research data that would be continually updated with new information gleaned from an ongoing worker surveillance program. While recommending enhancements, the NAS panel emphasized that DOE's health research program would not be able to function effectively until the department revamped its joint management agreement with HHS.« less

Computational science: shifting the focus from tools to models

PubMed Central

Hinsen, Konrad

2014-01-01

Computational techniques have revolutionized many aspects of scientific research over the last few decades. Experimentalists use computation for data analysis, processing ever bigger data sets. Theoreticians compute predictions from ever more complex models. However, traditional articles do not permit the publication of big data sets or complex models. As a consequence, these crucial pieces of information no longer enter the scientific record. Moreover, they have become prisoners of scientific software: many models exist only as software implementations, and the data are often stored in proprietary formats defined by the software. In this article, I argue that this emphasis on software tools over models and data is detrimental to science in the long term, and I propose a means by which this can be reversed. PMID:25309728

The International Conference on Vector and Parallel Computing (2nd)

DTIC Science & Technology

1989-01-17

Computation of the SVD of Bidiagonal Matrices" ...................................... 11 " Lattice QCD -As a Large Scale Scientific Computation...vectorizcd for the IBM 3090 Vector Facility. In addition, elapsed times " Lattice QCD -As a Large Scale Scientific have been reduced by using 3090...benchmarked Lattice QCD on a large number ofcompu- come from the wavefront solver routine. This was exten- ters: CrayX-MP and Cray 2 (vector

Multi-threading: A new dimension to massively parallel scientific computation

NASA Astrophysics Data System (ADS)

Nielsen, Ida M. B.; Janssen, Curtis L.

2000-06-01

Multi-threading is becoming widely available for Unix-like operating systems, and the application of multi-threading opens new ways for performing parallel computations with greater efficiency. We here briefly discuss the principles of multi-threading and illustrate the application of multi-threading for a massively parallel direct four-index transformation of electron repulsion integrals. Finally, other potential applications of multi-threading in scientific computing are outlined.

Comment on "Most computational hydrology is not reproducible, so is it really science?" by Christopher Hutton et al.

NASA Astrophysics Data System (ADS)

Añel, Juan A.

2017-03-01

Nowadays, the majority of the scientific community is not aware of the risks and problems associated with an inadequate use of computer systems for research, mostly for reproducibility of scientific results. Such reproducibility can be compromised by the lack of clear standards and insufficient methodological description of the computational details involved in an experiment. In addition, the inappropriate application or ignorance of copyright laws can have undesirable effects on access to aspects of great importance of the design of experiments and therefore to the interpretation of results.