Science.gov

Sample records for molecular science computing

  1. Molecular Science Computing: 2010 Greenbook

    SciTech Connect

    De Jong, Wibe A.; Cowley, David E.; Dunning, Thom H.; Vorpagel, Erich R.

    2010-04-02

    This 2010 Greenbook outlines the science drivers for performing integrated computational environmental molecular research at EMSL and defines the next-generation HPC capabilities that must be developed at the MSC to address this critical research. The EMSL MSC Science Panel used EMSL’s vision and science focus and white papers from current and potential future EMSL scientific user communities to define the scientific direction and resulting HPC resource requirements presented in this 2010 Greenbook.

  2. Demystifying computer science for molecular ecologists.

    PubMed

    Belcaid, Mahdi; Toonen, Robert J

    2015-06-01

    In this age of data-driven science and high-throughput biology, computational thinking is becoming an increasingly important skill for tackling both new and long-standing biological questions. However, despite its obvious importance and conspicuous integration into many areas of biology, computer science is still viewed as an obscure field that has, thus far, permeated into only a few of the biology curricula across the nation. A national survey has shown that lack of computational literacy in environmental sciences is the norm rather than the exception [Valle & Berdanier (2012) Bulletin of the Ecological Society of America, 93, 373-389]. In this article, we seek to introduce a few important concepts in computer science with the aim of providing a context-specific introduction aimed at research biologists. Our goal was to help biologists understand some of the most important mainstream computational concepts to better appreciate bioinformatics methods and trade-offs that are not obvious to the uninitiated. PMID:25824671

  3. Molecular Science Computing Facility Scientific Challenges: Linking Across Scales

    SciTech Connect

    De Jong, Wibe A.; Windus, Theresa L.

    2005-07-01

    The purpose of this document is to define the evolving science drivers for performing environmental molecular research at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and to provide guidance associated with the next-generation high-performance computing center that must be developed at EMSL's Molecular Science Computing Facility (MSCF) in order to address this critical research. The MSCF is the pre-eminent computing facility?supported by the U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research (BER)?tailored to provide the fastest time-to-solution for current computational challenges in chemistry and biology, as well as providing the means for broad research in the molecular and environmental sciences. The MSCF provides integral resources and expertise to emerging EMSL Scientific Grand Challenges and Collaborative Access Teams that are designed to leverage the multiple integrated research capabilities of EMSL, thereby creating a synergy between computation and experiment to address environmental molecular science challenges critical to DOE and the nation.

  4. Open computing grid for molecular science and engineering.

    PubMed

    Sild, Sulev; Maran, Uko; Lomaka, Andre; Karelson, Mati

    2006-01-01

    Grid is an emerging infrastructure for distributed computing that provides secure and scalable mechanisms for discovering and accessing remote software and data resources. Applications built on this infrastructure have great potential for addressing and solving large scale chemical, pharmaceutical, and material science problems. The article describes the concept behind grid computing and will present the OpenMolGRID system that is an open computing grid for molecular science and engineering. This system provides grid enabled components, such as a data warehouse for chemical data, software for building QSPR/QSAR models, and molecular engineering tools for generating compounds with predefined chemical properties or biological activities. The article also provides an overview about the availability of chemical applications in the grid. PMID:16711713

  5. Introducing Molecular Life Science Students to Model Building Using Computer Simulations

    ERIC Educational Resources Information Center

    Aegerter-Wilmsen, Tinri; Kettenis, Dik; Sessink, Olivier; Hartog, Rob; Bisseling, Ton; Janssen, Fred

    2006-01-01

    Computer simulations can facilitate the building of models of natural phenomena in research, such as in the molecular life sciences. In order to introduce molecular life science students to the use of computer simulations for model building, a digital case was developed in which students build a model of a pattern formation process in…

  6. Biotechnology Computing: Information Science for the Era of Molecular Medicine.

    ERIC Educational Resources Information Center

    Masys, Daniel R.

    1989-01-01

    The evolution from classical genetics to biotechnology, an area of research involving key macromolecules in living cells, is chronicled and the current state of biotechnology is described, noting related advances in computing and clinical medicine. (MSE)

  7. Computer sciences

    NASA Technical Reports Server (NTRS)

    Smith, Paul H.

    1988-01-01

    The Computer Science Program provides advanced concepts, techniques, system architectures, algorithms, and software for both space and aeronautics information sciences and computer systems. The overall goal is to provide the technical foundation within NASA for the advancement of computing technology in aerospace applications. The research program is improving the state of knowledge of fundamental aerospace computing principles and advancing computing technology in space applications such as software engineering and information extraction from data collected by scientific instruments in space. The program includes the development of special algorithms and techniques to exploit the computing power provided by high performance parallel processors and special purpose architectures. Research is being conducted in the fundamentals of data base logic and improvement techniques for producing reliable computing systems.

  8. COMPUTATIONAL SCIENCE CENTER

    SciTech Connect

    DAVENPORT, J.

    2006-11-01

    Computational Science is an integral component of Brookhaven's multi science mission, and is a reflection of the increased role of computation across all of science. Brookhaven currently has major efforts in data storage and analysis for the Relativistic Heavy Ion Collider (RHIC) and the ATLAS detector at CERN, and in quantum chromodynamics. The Laboratory is host for the QCDOC machines (quantum chromodynamics on a chip), 10 teraflop/s computers which boast 12,288 processors each. There are two here, one for the Riken/BNL Research Center and the other supported by DOE for the US Lattice Gauge Community and other scientific users. A 100 teraflop/s supercomputer will be installed at Brookhaven in the coming year, managed jointly by Brookhaven and Stony Brook, and funded by a grant from New York State. This machine will be used for computational science across Brookhaven's entire research program, and also by researchers at Stony Brook and across New York State. With Stony Brook, Brookhaven has formed the New York Center for Computational Science (NYCCS) as a focal point for interdisciplinary computational science, which is closely linked to Brookhaven's Computational Science Center (CSC). The CSC has established a strong program in computational science, with an emphasis on nanoscale electronic structure and molecular dynamics, accelerator design, computational fluid dynamics, medical imaging, parallel computing and numerical algorithms. We have been an active participant in DOES SciDAC program (Scientific Discovery through Advanced Computing). We are also planning a major expansion in computational biology in keeping with Laboratory initiatives. Additional laboratory initiatives with a dependence on a high level of computation include the development of hydrodynamics models for the interpretation of RHIC data, computational models for the atmospheric transport of aerosols, and models for combustion and for energy utilization. The CSC was formed to bring together

  9. Democratizing Computer Science

    ERIC Educational Resources Information Center

    Margolis, Jane; Goode, Joanna; Ryoo, Jean J.

    2015-01-01

    Computer science programs are too often identified with a narrow stratum of the student population, often white or Asian boys who have access to computers at home. But because computers play such a huge role in our world today, all students can benefit from the study of computer science and the opportunity to build skills related to computing. The…

  10. ICASE Computer Science Program

    NASA Technical Reports Server (NTRS)

    1985-01-01

    The Institute for Computer Applications in Science and Engineering computer science program is discussed in outline form. Information is given on such topics as problem decomposition, algorithm development, programming languages, and parallel architectures.

  11. COMPUTATIONAL SCIENCE CENTER

    SciTech Connect

    DAVENPORT,J.

    2004-11-01

    The Brookhaven Computational Science Center brings together researchers in biology, chemistry, physics, and medicine with applied mathematicians and computer scientists to exploit the remarkable opportunities for scientific discovery which have been enabled by modern computers. These opportunities are especially great in computational biology and nanoscience, but extend throughout science and technology and include for example, nuclear and high energy physics, astrophysics, materials and chemical science, sustainable energy, environment, and homeland security.

  12. COMPUTATIONAL SCIENCE CENTER

    SciTech Connect

    DAVENPORT, J.

    2005-11-01

    The Brookhaven Computational Science Center brings together researchers in biology, chemistry, physics, and medicine with applied mathematicians and computer scientists to exploit the remarkable opportunities for scientific discovery which have been enabled by modern computers. These opportunities are especially great in computational biology and nanoscience, but extend throughout science and technology and include, for example, nuclear and high energy physics, astrophysics, materials and chemical science, sustainable energy, environment, and homeland security. To achieve our goals we have established a close alliance with applied mathematicians and computer scientists at Stony Brook and Columbia Universities.

  13. Recognizing Computational Science

    NASA Astrophysics Data System (ADS)

    Bland-Hawthorn, J.

    2006-08-01

    There are prestigious international awards that recognize the role of theory and experiment in science and mathematics, but there are no awards of a similar stature that explicitly recognize the role of computational science in a scientific field. In 1945, John von Neumann noted that "many branches of both pure and applied mathematics are in great need of computing instruments to break the present stalemate created by the failure of the purely analytical approach to nonlinear problems." In the past few decades, great strides in mathematics and in the applied sciences can be linked to computational science.

  14. Computers in Science Fiction.

    ERIC Educational Resources Information Center

    Kurland, Michael

    1984-01-01

    Science fiction writers' perceptions of the "thinking machine" are examined through a review of Baum's Oz books, Heinlein's "Beyond This Horizon," science fiction magazine articles, and works about robots including Asimov's "I, Robot." The future of computers in science fiction is discussed and suggested readings are listed. (MBR)

  15. Women in Computer Sciences.

    ERIC Educational Resources Information Center

    Rose, Clare; Menninger, Sally Ann

    The keynote address of a conference that focused on the future of women in science and engineering fields and the opportunities available to them in the computer sciences is presented. Women's education in the sciences and education and entry into the job market in these fields has steadily been increasing. Excellent employment opportunities are…

  16. Research in computer science

    NASA Technical Reports Server (NTRS)

    Ortega, J. M.

    1986-01-01

    Various graduate research activities in the field of computer science are reported. Among the topics discussed are: (1) failure probabilities in multi-version software; (2) Gaussian Elimination on parallel computers; (3) three dimensional Poisson solvers on parallel/vector computers; (4) automated task decomposition for multiple robot arms; (5) multi-color incomplete cholesky conjugate gradient methods on the Cyber 205; and (6) parallel implementation of iterative methods for solving linear equations.

  17. Research in computer science

    NASA Technical Reports Server (NTRS)

    Ortega, J. M.

    1985-01-01

    Synopses are given for NASA supported work in computer science at the University of Virginia. Some areas of research include: error seeding as a testing method; knowledge representation for engineering design; analysis of faults in a multi-version software experiment; implementation of a parallel programming environment; two computer graphics systems for visualization of pressure distribution and convective density particles; task decomposition for multiple robot arms; vectorized incomplete conjugate gradient; and iterative methods for solving linear equations on the Flex/32.

  18. Partnership in Computational Science

    SciTech Connect

    Huray, Paul G.

    1999-02-24

    This is the final report for the "Partnership in Computational Science" (PICS) award in an amount of $500,000 for the period January 1, 1993 through December 31, 1993. A copy of the proposal with its budget is attached as Appendix A. This report first describes the consequent significance of the DOE award in building infrastructure of high performance computing in the Southeast and then describes the work accomplished under this grant and a list of publications resulting from it.

  19. Computer/Information Science

    ERIC Educational Resources Information Center

    Birman, Ken; Roughgarden, Tim; Seltzer, Margo; Spohrer, Jim; Stolterman, Erik; Kearsley, Greg; Koszalka, Tiffany; de Jong, Ton

    2013-01-01

    Scholars representing the field of computer/information science were asked to identify what they considered to be the most exciting and imaginative work currently being done in their field, as well as how that work might change our understanding. The scholars included Ken Birman, Jennifer Rexford, Tim Roughgarden, Margo Seltzer, Jim Spohrer, and…

  20. EDITORIAL: Computational materials science Computational materials science

    NASA Astrophysics Data System (ADS)

    Kahl, Gerhard; Kresse, Georg

    2011-10-01

    Special issue in honour of Jürgen Hafner On 30 September 2010, Jürgen Hafner, one of the most prominent and influential members within the solid state community, retired. His remarkably broad scientific oeuvre has made him one of the founding fathers of modern computational materials science: more than 600 scientific publications, numerous contributions to books, and a highly cited monograph, which has become a standard reference in the theory of metals, witness not only the remarkable productivity of Jürgen Hafner but also his impact in theoretical solid state physics. In an effort to duly acknowledge Jürgen Hafner's lasting impact in this field, a Festsymposium was held on 27-29 September 2010 at the Universität Wien. The organizers of this symposium (and authors of this editorial) are proud to say that a large number of highly renowned scientists in theoretical condensed matter theory—co-workers, friends and students—accepted the invitation to this celebration of Hafner's jubilee. Some of these speakers also followed our invitation to submit their contribution to this Festschrift, published in Journal of Physics: Condensed Matter, a journal which Jürgen Hafner served in 2000-2003 and 2003-2006 as a member of the Advisory Editorial Board and member of the Executive Board, respectively. In the subsequent article, Volker Heine, friend and co-worker of Jürgen Hafner over many decades, gives an account of Hafner's impact in the field of theoretical condensed matter physics. Computational materials science contents Theoretical study of structural, mechanical and spectroscopic properties of boehmite (γ-AlOOH) D Tunega, H Pašalić, M H Gerzabek and H Lischka Ethylene epoxidation catalyzed by chlorine-promoted silver oxide M O Ozbek, I Onal and R A Van Santen First-principles study of Cu2ZnSnS4 and the related band offsets for photovoltaic applicationsA Nagoya, R Asahi and G Kresse Renormalization group study of random quantum magnetsIstván A Kovács and

  1. Conceptual Considerations in Molecular Science

    ERIC Educational Resources Information Center

    Sawyer, Donald T.

    2005-01-01

    There are significant misconceptions within the chemical community and molecular science, particularly in the undergraduate curriculum and the associated textbooks. Some of the misconceptions are described, which give poor basis to understand molecular bonding and structure, and reaction mechanisms.

  2. The Need for Computer Science

    ERIC Educational Resources Information Center

    Margolis, Jane; Goode, Joanna; Bernier, David

    2011-01-01

    Broadening computer science learning to include more students is a crucial item on the United States' education agenda, these authors say. Although policymakers advocate more computer science expertise, computer science offerings in high schools are few--and actually shrinking. In addition, poorly resourced schools with a high percentage of…

  3. Computer Science Education in China.

    ERIC Educational Resources Information Center

    Yun-Lin, Su

    1988-01-01

    Describes the history of computer science departments at universities in China. Educational principles that characterize Chinese computer science education are discussed, selection of students for universities is described, and curricula for both undergraduate and graduate computer science studies are outlined. (LRW)

  4. Toward Molecular Catalysts by Computer

    SciTech Connect

    Raugei, Simone; DuBois, Daniel L.; Rousseau, Roger J.; Chen, Shentan; Ho, Ming-Hsun; Bullock, R. Morris; Dupuis, Michel

    2015-02-17

    Rational design of molecular catalysts requires a systematic approach to designing ligands with specific functionality and precisely tailored electronic and steric properties. It then becomes possible to devise computer protocols to predict accurately the required properties and ultimately to design catalysts by computer. In this account we first review how thermodynamic properties such as oxidation-reduction potentials (E0), acidities (pKa), and hydride donor abilities (ΔGH-) form the basis for a systematic design of molecular catalysts for reactions that are critical for a secure energy future (hydrogen evolution and oxidation, oxygen and nitrogen reduction, and carbon dioxide reduction). We highlight how density functional theory allows us to determine and predict these properties within “chemical” accuracy (~ 0.06 eV for redox potentials, ~ 1 pKa unit for pKa values, and ~ 1.5 kcal/mol for hydricities). These quantities determine free energy maps and profiles associated with catalytic cycles, i.e. the relative energies of intermediates, and help us distinguish between desirable and high-energy pathways and mechanisms. Good catalysts have flat profiles that avoid high activation barriers due to low and high energy intermediates. We illustrate how the criterion of a flat energy profile lends itself to the prediction of design points by computer for optimum catalysts. This research was carried out in the Center for Molecular Electro-catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory (PNNL) is operated for the DOE by Battelle.

  5. Exercises in Molecular Computing

    PubMed Central

    2014-01-01

    Conspectus The successes of electronic digital logic have transformed every aspect of human life over the last half-century. The word “computer” now signifies a ubiquitous electronic device, rather than a human occupation. Yet evidently humans, large assemblies of molecules, can compute, and it has been a thrilling challenge to develop smaller, simpler, synthetic assemblies of molecules that can do useful computation. When we say that molecules compute, what we usually mean is that such molecules respond to certain inputs, for example, the presence or absence of other molecules, in a precisely defined but potentially complex fashion. The simplest way for a chemist to think about computing molecules is as sensors that can integrate the presence or absence of multiple analytes into a change in a single reporting property. Here we review several forms of molecular computing developed in our laboratories. When we began our work, combinatorial approaches to using DNA for computing were used to search for solutions to constraint satisfaction problems. We chose to work instead on logic circuits, building bottom-up from units based on catalytic nucleic acids, focusing on DNA secondary structures in the design of individual circuit elements, and reserving the combinatorial opportunities of DNA for the representation of multiple signals propagating in a large circuit. Such circuit design directly corresponds to the intuition about sensors transforming the detection of analytes into reporting properties. While this approach was unusual at the time, it has been adopted since by other groups working on biomolecular computing with different nucleic acid chemistries. We created logic gates by modularly combining deoxyribozymes (DNA-based enzymes cleaving or combining other oligonucleotides), in the role of reporting elements, with stem–loops as input detection elements. For instance, a deoxyribozyme that normally exhibits an oligonucleotide substrate recognition region is

  6. Computer Sciences in Secondary Education.

    ERIC Educational Resources Information Center

    Organisation for Economic Cooperation and Development, Paris (France). Centre for Educational Research and Innovation.

    Speeches presented to an international seminar on computer science are reprinted. These aspects of computer science courses in secondary education are considered: the significance of including such courses in the curriculum; objectives and contents for such courses; the integration of computer courses with other school subjects; methods and…

  7. Science Teaching and Computer Languages.

    ERIC Educational Resources Information Center

    Bork, Alfred M.

    Computer languages are analyzed and compared from the standpoint of the science teacher using computers in the classroom. Computers have three basic uses in teaching, to compute, to instruct, and to motivate; effective computer languages should be responsive to these three modes. Widely-used languages, including FORTRAN, ALGOL, PL/1, and APL, are…

  8. Molecular Science Research Center 1992 annual report

    SciTech Connect

    Knotek, M.L.

    1994-01-01

    The Molecular Science Research Center is a designated national user facility, available to scientists from universities, industry, and other national laboratories. After an opening section, which includes conferences hosted, appointments, and projects, this document presents progress in the following fields: chemical structure and dynamics; environmental dynamics and simulation; macromolecular structure and dynamics; materials and interfaces; theory, modeling, and simulation; and computing and information sciences. Appendices are included: MSRC staff and associates, 1992 publications and presentations, activities, and acronyms and abbreviations.

  9. Mobile modeling in the molecular sciences

    EPA Science Inventory

    The art of modeling in the molecular sciences is highly dependent on both the available computational technology, underlying data, and ability to collaborate. With the ever increasing market share of mobile devices, it is assumed by many that tablets will overtake laptops as the...

  10. COMPUTER SCIENCES IN ELECTRICAL ENGINEERING.

    ERIC Educational Resources Information Center

    Commission on Engineering Education, Washington, DC.

    THE COMMITTEE ON COMPUTER SCIENCES IN ELECTRICAL ENGINEERING (COSINE COMMITTEE) OF THE COMMISSION ON ENGINEERING REPORTS ITS EXPLORATION OF THE ROLE OF ELECTRICAL ENGINEERING IN COMPUTER SCIENCES. GREATER FLEXIBILITY IN ENGINEERING CURRICULA IS FELT ESSENTIAL TO MEET THE EDUCATIONAL NEEDS IN SUCH A RAPIDLY CHANGING AND DIVERSE FIELD. THE MAJOR…

  11. Computer Science: A Dissertation Bibliography.

    ERIC Educational Resources Information Center

    1978

    Over 6,300 doctoral dissertation titles relevant to the study of computer and information sciences are cited in this publication. Titles cover the full range of computer and information sciences activities including: (1) automatic theory; (2) modeling; (3) operations research; (4) programming; (5) hardware design; (6) logic elements; and (7) data…

  12. NASA's computer science research program

    NASA Technical Reports Server (NTRS)

    Larsen, R. L.

    1983-01-01

    Following a major assessment of NASA's computing technology needs, a new program of computer science research has been initiated by the Agency. The program includes work in concurrent processing, management of large scale scientific databases, software engineering, reliable computing, and artificial intelligence. The program is driven by applications requirements in computational fluid dynamics, image processing, sensor data management, real-time mission control and autonomous systems. It consists of university research, in-house NASA research, and NASA's Research Institute for Advanced Computer Science (RIACS) and Institute for Computer Applications in Science and Engineering (ICASE). The overall goal is to provide the technical foundation within NASA to exploit advancing computing technology in aerospace applications.

  13. Computer representation of molecular surfaces

    SciTech Connect

    Max, N.L.

    1981-07-06

    This review article surveys recent work on computer representation of molecular surfaces. Several different algorithms are discussed for producing vector or raster drawings of space-filling models formed as the union of spheres. Other smoother surfaces are also considered.

  14. Theoretical computer science and the natural sciences

    NASA Astrophysics Data System (ADS)

    Marchal, Bruno

    2005-12-01

    I present some fundamental theorems in computer science and illustrate their relevance in Biology and Physics. I do not assume prerequisites in mathematics or computer science beyond the set N of natural numbers, functions from N to N, the use of some notational conveniences to describe functions, and at some point, a minimal amount of linear algebra and logic. I start with Cantor's transcendental proof by diagonalization of the non enumerability of the collection of functions from natural numbers to the natural numbers. I explain why this proof is not entirely convincing and show how, by restricting the notion of function in terms of discrete well defined processes, we are led to the non algorithmic enumerability of the computable functions, but also-through Church's thesis-to the algorithmic enumerability of partial computable functions. Such a notion of function constitutes, with respect to our purpose, a crucial generalization of that concept. This will make easy to justify deep and astonishing (counter-intuitive) incompleteness results about computers and similar machines. The modified Cantor diagonalization will provide a theory of concrete self-reference and I illustrate it by pointing toward an elementary theory of self-reproduction-in the Amoeba's way-and cellular self-regeneration-in the flatworm Planaria's way. To make it easier, I introduce a very simple and powerful formal system known as the Schoenfinkel-Curry combinators. I will use the combinators to illustrate in a more concrete way the notion introduced above. The combinators, thanks to their low-level fine grained design, will also make it possible to make a rough but hopefully illuminating description of the main lessons gained by the careful observation of nature, and to describe some new relations, which should exist between computer science, the science of life and the science of inert matter, once some philosophical, if not theological, hypotheses are made in the cognitive sciences. In the

  15. Computer Science Professionals and Greek Library Science

    ERIC Educational Resources Information Center

    Dendrinos, Markos N.

    2008-01-01

    This paper attempts to present the current state of computer science penetration into librarianship in terms of both workplace and education issues. The shift from material libraries into digital libraries is mirrored in the corresponding shift from librarians into information scientists. New library data and metadata, as well as new automated…

  16. 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.

  17. Computer Science Research at Langley

    NASA Technical Reports Server (NTRS)

    Voigt, S. J. (Editor)

    1982-01-01

    A workshop was held at Langley Research Center, November 2-5, 1981, to highlight ongoing computer science research at Langley and to identify additional areas of research based upon the computer user requirements. A panel discussion was held in each of nine application areas, and these are summarized in the proceedings. Slides presented by the invited speakers are also included. A survey of scientific, business, data reduction, and microprocessor computer users helped identify areas of focus for the workshop. Several areas of computer science which are of most concern to the Langley computer users were identified during the workshop discussions. These include graphics, distributed processing, programmer support systems and tools, database management, and numerical methods.

  18. Research in computer science

    NASA Technical Reports Server (NTRS)

    Ortega, J. M.

    1984-01-01

    Several short summaries of the work performed during this reporting period are presented. Topics discussed in this document include: (1) resilient seeded errors via simple techniques; (2) knowledge representation for engineering design; (3) analysis of faults in a multiversion software experiment; (4) implementation of parallel programming environment; (5) symbolic execution of concurrent programs; (6) two computer graphics systems for visualization of pressure distribution and convective density particles; (7) design of a source code management system; (8) vectorizing incomplete conjugate gradient on the Cyber 203/205; (9) extensions of domain testing theory and; (10) performance analyzer for the pisces system.

  19. Molecular dynamics on vector computers

    NASA Astrophysics Data System (ADS)

    Sullivan, F.; Mountain, R. D.; Oconnell, J.

    1985-10-01

    An algorithm called the method of lights (MOL) has been developed for the computerized simulation of molecular dynamics. The MOL, implemented on the CYBER 205 computer, is based on sorting and reformulating the manner in which neighbor lists are compiled, and it uses data structures compatible with specialized vector statements that perform parallel computations. The MOL is found to reduce running time over standard methods in scalar form, and vectorization is shown to produce an order-of-magnitude reduction in execution time.

  20. Alliance for Computational Science Collaboration

    SciTech Connect

    Scheick, S. H.

    2003-04-26

    The mission of this alliance is to promote, encourage, and facilitate computational science activities at the member HBCUs and to use collaborative technologies among the alliance partners to create an environment in which students and researchers from a wide variety of applications areas can exchange ideas and share resources.

  1. The NASA computer science research program plan

    NASA Technical Reports Server (NTRS)

    1983-01-01

    A taxonomy of computer science is included, one state of the art of each of the major computer science categories is summarized. A functional breakdown of NASA programs under Aeronautics R and D, space R and T, and institutional support is also included. These areas were assessed against the computer science categories. Concurrent processing, highly reliable computing, and information management are identified.

  2. Computer Analogies: Teaching Molecular Biology and Ecology.

    ERIC Educational Resources Information Center

    Rice, Stanley; McArthur, John

    2002-01-01

    Suggests that computer science analogies can aid the understanding of gene expression, including the storage of genetic information on chromosomes. Presents a matrix of biology and computer science concepts. (DDR)

  3. Towards molecular computers that operate in a biological environment

    NASA Astrophysics Data System (ADS)

    Kahan, Maya; Gil, Binyamin; Adar, Rivka; Shapiro, Ehud

    2008-07-01

    Even though electronic computers are the only computer species we are accustomed to, the mathematical notion of a programmable computer has nothing to do with electronics. In fact, Alan Turing’s notional computer [L.M. Turing, On computable numbers, with an application to the entcheidungsproblem, Proc. Lond. Math. Soc. 42 (1936) 230-265], which marked in 1936 the birth of modern computer science and still stands at its heart, has greater similarity to natural biomolecular machines such as the ribosome and polymerases than to electronic computers. This similarity led to the investigation of DNA-based computers [C.H. Bennett, The thermodynamics of computation - Review, Int. J. Theoret. Phys. 21 (1982) 905-940; A.M. Adleman, Molecular computation of solutions to combinatorial problems, Science 266 (1994) 1021-1024]. Although parallelism, sequence specific hybridization and storage capacity, inherent to DNA and RNA molecules, can be exploited in molecular computers to solve complex mathematical problems [Q. Ouyang, et al., DNA solution of the maximal clique problem, Science 278 (1997) 446-449; R.J. Lipton, DNA solution of hard computational problems, Science 268 (1995) 542-545; R.S. Braich, et al., Solution of a 20-variable 3-SAT problem on a DNA computer, Science 296 (2002) 499-502; Liu Q., et al., DNA computing on surfaces, Nature 403 (2000) 175-179; D. Faulhammer, et al., Molecular computation: RNA solutions to chess problems, Proc. Natl. Acad. Sci. USA 97 (2000) 1385-1389; C. Mao, et al., Logical computation using algorithmic self-assembly of DNA triple-crossover molecules, Nature 407 (2000) 493-496; A.J. Ruben, et al., The past, present and future of molecular computing, Nat. Rev. Mol. Cell. Biol. 1 (2000) 69-72], we believe that the more significant potential of molecular computers lies in their ability to interact directly with a biochemical environment such as the bloodstream and living cells. From this perspective, even simple molecular computations may have

  4. Molecular Science Research Center annual report

    SciTech Connect

    Knotek, M.L.

    1991-01-01

    The Chemical Structure and Dynamics group is studying chemical kinetics and reactions dynamics of terrestrial and atmospheric processes as well as the chemistry of complex waste forms and waste storage media. Staff are using new laser systems and surface-mapping techniques in combination with molecular clusters that mimic adsorbate/surface interactions. The Macromolecular Structure and Dynamics group is determining biomolecular structure/function relationships for processes the control the biological transformation of contaminants and the health effects of toxic substances. The Materials and Interfaces program is generating information needed to design and synthesize advanced materials for the analysis and separation of mixed chemical waste, the long-term storage of concentrated hazardous materials, and the development of chemical sensors for environmental monitoring of various organic and inorganic species. The Theory, Modeling, and Simulation group is developing detailed molecular-level descriptions of the chemical, physical, and biological processes in natural and contaminated systems. Researchers are using the full spectrum of computational techniques. The Computer and Information Sciences group is developing new approaches to handle vast amounts of data and to perform calculations for complex natural systems. The EMSL will contain a high-performance computing facility, ancillary computing laboratories, and high-speed data acquisition systems for all major research instruments.

  5. Wanted: Female Computer-Science Students

    ERIC Educational Resources Information Center

    Carlson, Scott

    2006-01-01

    The Computing Research Association revealed that the percentage of American women in computer science and related fields remains low and stagnant, while other fields, like mathematics, science, and chemistry are seeing growing enrollment of women. Some researchers suggest computer-science programs are stacked women and the way they learn, but…

  6. Girls Save the World through Computer Science

    ERIC Educational Resources Information Center

    Murakami, Christine

    2011-01-01

    It's no secret that fewer and fewer women are entering computer science fields. Attracting high school girls to computer science is only part of the solution. Retaining them while they are in higher education or the workforce is also a challenge. To solve this, there is a need to show girls that computer science is a wide-open field that offers…

  7. Computer Science and the Liberal Arts

    ERIC Educational Resources Information Center

    Shannon, Christine

    2010-01-01

    Computer science and the liberal arts have much to offer each other. Yet liberal arts colleges, in particular, have been slow to recognize the opportunity that the study of computer science provides for achieving the goals of a liberal education. After the precipitous drop in computer science enrollments during the first decade of this century,…

  8. Preparing Future Secondary Computer Science Educators

    ERIC Educational Resources Information Center

    Ajwa, Iyad

    2007-01-01

    Although nearly every college offers a major in computer science, many computer science teachers at the secondary level have received little formal training. This paper presents details of a project that could make a significant contribution to national efforts to improve computer science education by combining teacher education and professional…

  9. How One Computer Science Program Grew.

    ERIC Educational Resources Information Center

    Adams, James C.

    1983-01-01

    Describes growth of computer science program in Chetek Junior High School (Wisconsin), from having a single DecWriter II terminal to 14 microprocessors, electronic training devices, and a sequence of computer science courses. Students learn about basic computer literacy, hardware, software, programing, and computer technology. (EAO)

  10. Computer-aided design and computer science technology

    NASA Technical Reports Server (NTRS)

    Fulton, R. E.; Voigt, S. J.

    1976-01-01

    A description is presented of computer-aided design requirements and the resulting computer science advances needed to support aerospace design. The aerospace design environment is examined, taking into account problems of data handling and aspects of computer hardware and software. The interactive terminal is normally the primary interface between the computer system and the engineering designer. Attention is given to user aids, interactive design, interactive computations, the characteristics of design information, data management requirements, hardware advancements, and computer science developments.

  11. Berkeley Lab Computing Sciences: Accelerating Scientific Discovery

    SciTech Connect

    Hules, John A

    2008-12-12

    Scientists today rely on advances in computer science, mathematics, and computational science, as well as large-scale computing and networking facilities, to increase our understanding of ourselves, our planet, and our universe. Berkeley Lab's Computing Sciences organization researches, develops, and deploys new tools and technologies to meet these needs and to advance research in such areas as global climate change, combustion, fusion energy, nanotechnology, biology, and astrophysics.

  12. Computers in Science: Thinking Outside the Discipline.

    ERIC Educational Resources Information Center

    Hamilton, Todd M.

    2003-01-01

    Describes the Computers in Science course which integrates computer-related techniques into the science disciplines of chemistry, physics, biology, and Earth science. Uses a team teaching approach and teaches students how to solve chemistry problems with spreadsheets, identify minerals with X-rays, and chemical and force analysis. (Contains 14…

  13. Writing Instruction for the Computer Sciences.

    ERIC Educational Resources Information Center

    Orr, Thomas

    This paper examines patterns of English discourse related to computer science and makes suggestions for the design and content of a technical writing course in English as a Second Language for computer specialists. An introductory section provides background information on computer science education and two professional associations with which…

  14. Know Your Discipline: Teaching the Philosophy of Computer Science

    ERIC Educational Resources Information Center

    Tedre, Matti

    2007-01-01

    The diversity and interdisciplinarity of computer science and the multiplicity of its uses in other sciences make it hard to define computer science and to prescribe how computer science should be carried out. The diversity of computer science also causes friction between computer scientists from different branches. Computer science curricula, as…

  15. Interdisciplinary Educational Collaborations: Chemistry and Computer Science

    ERIC Educational Resources Information Center

    Haines, Ronald S.; Woo, Daniel T.; Hudson, Benjamin T.; Mori, Joji C.; Ngan, Evey S. M.; Pak, Wing-Yee

    2007-01-01

    Research collaborations between chemists and other scientists resulted in significant outcomes such as development of software. Such collaboration provided a realistic learning experience for computer science students.

  16. A Microcomputer-Based Computer Science Program.

    ERIC Educational Resources Information Center

    Compeau, Larry D.

    1984-01-01

    Examines the use of the microcomputer in computer science programs as an alternative to time-sharing computers at North Country Community College. Discusses factors contributing to the program's success, security problems, outside application possibilities, and program implementation concerns. (DMM)

  17. REVIEW ARTICLE: Molecular electronics: prospects for instrumentation and measurement science

    NASA Astrophysics Data System (ADS)

    Petty, M. C.

    1996-05-01

    Molecular electronics is a new, exciting, interdisciplinary field of research. The subject broadly concerns the exploitation of organic materials in electronic and optoelectronic devices. There are many current commercial applications, including liquid crystal displays, conductive polymer sensors and pyroelectric plastics. Longer term developments might include molecular computational devices. In this review, the scope of molecular electronics is first discussed. Three examples of ongoing research that could have an impact on instrumentation and measurement science are then described. This is followed by some speculation on the possibilities for `molecular scale' electronic systems.

  18. Molecular computation of solutions to combinatorial problems.

    PubMed

    Adleman, L M

    1994-11-11

    The tools of molecular biology were used to solve an instance of the directed Hamiltonian path problem. A small graph was encoded in molecules of DNA, and the "operations" of the computation were performed with standard protocols and enzymes. This experiment demonstrates the feasibility of carrying out computations at the molecular level. PMID:7973651

  19. ASCR Workshop on Quantum Computing for Science

    SciTech Connect

    Aspuru-Guzik, Alan; Van Dam, Wim; Farhi, Edward; Gaitan, Frank; Humble, Travis; Jordan, Stephen; Landahl, Andrew J; Love, Peter; Lucas, Robert; Preskill, John; Muller, Richard P.; Svore, Krysta; Wiebe, Nathan; Williams, Carl

    2015-06-01

    This report details the findings of the DOE ASCR Workshop on Quantum Computing for Science that was organized to assess the viability of quantum computing technologies to meet the computational requirements of the DOE’s science and energy mission, and to identify the potential impact of quantum technologies. The workshop was held on February 17-18, 2015, in Bethesda, MD, to solicit input from members of the quantum computing community. The workshop considered models of quantum computation and programming environments, physical science applications relevant to DOE's science mission as well as quantum simulation, and applied mathematics topics including potential quantum algorithms for linear algebra, graph theory, and machine learning. This report summarizes these perspectives into an outlook on the opportunities for quantum computing to impact problems relevant to the DOE’s mission as well as the additional research required to bring quantum computing to the point where it can have such impact.

  20. Computing and information sciences preliminary engineering design study

    SciTech Connect

    Schroeder, J O; Pearson, E W; Thomas, J J; Brothers, J W; Campbell, W K; DeVaney, D M; Jones, D R; Littlefield, R J; Peterson, M J

    1991-04-01

    This document presents the preliminary design concept for the integrated computing and information system to be included in the Environmental and Molecular Sciences Laboratory (EMSL) at the Pacific Northwest Laboratory, Richland, Washington, for the US Department of Energy (DOE). The EMSL is scheduled for completion and occupancy in 1994 or 1995 and will support the DOE environmental mission, in particular hazardous waste remediation. The focus of the report is on the Computing and Information Sciences engineering task of providing a fully integrated state-of-the-art computing environment for simulation, experimentation and analysis in support of molecular research. The EMSL will house two major research organizations, the Molecular Sciences Research Center (MSRC) and part of the Environmental Sciences Research Center (ESRC). Included in the report is a preliminary description of the computing and information system to be included. The proposed system architecture is based on a preliminary understanding of the EMSL users' needs for computational resources. As users understand more about the scientific challenges they face, the definition of the functional requirements will change. At the same time, the engineering team will be gaining experience with new computing technologies. Accordingly, the design architecture must evolve to reflect this new understanding of functional requirements and enabling technologies. 3 figs., 2 tabs.

  1. Reversing: A Fundamental Idea in Computer Science

    ERIC Educational Resources Information Center

    Armoni, Michal; Ginat, David

    2008-01-01

    Reversing is the notion of thinking or working in reverse. Computer science textbooks and tutors recognize it primarily in the form of recursion. However, recursion is only one form of reversing. Reversing appears in the computer science curriculum in many other forms, at various intellectual levels, in a variety of fundamental courses. As such,…

  2. A New K-12 Computer Science Curriculum

    ERIC Educational Resources Information Center

    Tucker, Allen B.

    2004-01-01

    Although there are numerous challenges for implementing a comprehensive K-12 computer science curriculum in the United States, the need is obvious, and the time to begin is now. Computer science is a well-established academic discipline at the collegiate and postgraduate levels, as well as a distinct and important profession in the world economy.…

  3. Creating Science Simulations through Computational Thinking Patterns

    ERIC Educational Resources Information Center

    Basawapatna, Ashok Ram

    2012-01-01

    Computational thinking aims to outline fundamental skills from computer science that everyone should learn. As currently defined, with help from the National Science Foundation (NSF), these skills include problem formulation, logically organizing data, automating solutions through algorithmic thinking, and representing data through abstraction.…

  4. Theory-Guided Technology in Computer Science.

    ERIC Educational Resources Information Center

    Ben-Ari, Mordechai

    2001-01-01

    Examines the history of major achievements in computer science as portrayed by winners of the prestigious Turing award and identifies a possibly unique activity called Theory-Guided Technology (TGT). Researchers develop TGT by using theoretical results to create practical technology. Discusses reasons why TGT is practical in computer science and…

  5. Central Computer Science Concepts to Research-Based Teacher Training in Computer Science: An Experimental Study

    ERIC Educational Resources Information Center

    Zendler, Andreas; Klaudt, Dieter

    2012-01-01

    The significance of computer science for economics and society is undisputed. In particular, computer science is acknowledged to play a key role in schools (e.g., by opening multiple career paths). The provision of effective computer science education in schools is dependent on teachers who are able to properly represent the discipline and whose…

  6. Theory-Guided Technology in Computer Science

    NASA Astrophysics Data System (ADS)

    Ben-Ari, Mordechai

    Scientists usually identify themselves as either theoreticians or experimentalists, while technology - the application of science in practice - is done by engineers. In computer science, these distinctions are often blurred. This paper examines the history of major achievements in computer science as portrayed by the winners of the prestigious Turing Award and identifies a possibly unique activity called Theory-Guided Technology (TGT). Researchers develop TGT by using theoretical results to create practical technology. The reasons why TGT is practical in computer science are discussed, as is the cool reception that TGT has been received by software engineers.

  7. Multiscale Computation. Needs and Opportunities for BER Science

    SciTech Connect

    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 EMSL decisions regarding future computational (hardware and software) architectures.

  8. Structural biology computing: Lessons for the biomedical research sciences.

    PubMed

    Morin, Andrew; Sliz, Piotr

    2013-11-01

    The field of structural biology, whose aim is to elucidate the molecular and atomic structures of biological macromolecules, has long been at the forefront of biomedical sciences in adopting and developing computational research methods. Operating at the intersection between biophysics, biochemistry, and molecular biology, structural biology's growth into a foundational framework on which many concepts and findings of molecular biology are interpreted1 has depended largely on parallel advancements in computational tools and techniques. Without these computing advances, modern structural biology would likely have remained an exclusive pursuit practiced by few, and not become the widely practiced, foundational field it is today. As other areas of biomedical research increasingly embrace research computing techniques, the successes, failures and lessons of structural biology computing can serve as a useful guide to progress in other biomedically related research fields. PMID:23828134

  9. Computationally Designed Molecularly Imprinted Materials

    NASA Astrophysics Data System (ADS)

    Pavel, Dumitru; Lagowski, Jolanta; Faid, Karim

    2004-03-01

    Molecular dynamics simulations were carried out for different molecular systems in order to predict the binding affinities, binding energies, binding distances and the active site groups between the simulated molecular systems and different bio-ligands (theophylline and its derivatives), which have been designed and minimized using molecular simulation techniques. The first simulated molecular systems consisted of a ligand and functional monomer, such as methacrylic acid and its derivatives. For each pair of molecular systems, (10 monomers with a ligand and 10 monomers without a ligand) a total energy difference was calculated in order to estimate the binding energy between a ligand and the corresponding monomers. The analysis of the simulated functional monomers with ligands indicates that the functional group of monomers interacting with ligands tends to be either COOH or CH2=CH. The distances between the ligand and monomer, in the most stable cases as indicated above, are between 2.0-4.5 Å. The second simulated molecular systems consisted of a ligand and a polymer. The polymers were obtained from monomers that were simulated above. And similar to monomer study, for each pair of molecular systems, (polymer with a ligand and polymer without a ligand) a total energy difference was calculated in order to estimate the binding energy between ligand and the corresponding polymer. The binding distance between the active site of a polymer and a ligand will also be discussed.

  10. Semiotics, Information Science, Documents and Computers.

    ERIC Educational Resources Information Center

    Warner, Julian

    1990-01-01

    Discusses the relationship and value of semiotics to the established domains of information science. Highlights include documentation; computer operations; the language of computing; automata theory; linguistics; speech and writing; and the written language as a unifying principle for the document and the computer. (93 references) (LRW)

  11. Enabling Earth Science Through Cloud Computing

    NASA Technical Reports Server (NTRS)

    Hardman, Sean; Riofrio, Andres; Shams, Khawaja; Freeborn, Dana; Springer, Paul; Chafin, Brian

    2012-01-01

    Cloud Computing holds tremendous potential for missions across the National Aeronautics and Space Administration. Several flight missions are already benefiting from an investment in cloud computing for mission critical pipelines and services through faster processing time, higher availability, and drastically lower costs available on cloud systems. However, these processes do not currently extend to general scientific algorithms relevant to earth science missions. The members of the Airborne Cloud Computing Environment task at the Jet Propulsion Laboratory have worked closely with the Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE) mission to integrate cloud computing into their science data processing pipeline. This paper details the efforts involved in deploying a science data system for the CARVE mission, evaluating and integrating cloud computing solutions with the system and porting their science algorithms for execution in a cloud environment.

  12. Mechanistic models in computational social science

    NASA Astrophysics Data System (ADS)

    Holme, Petter; Liljeros, Fredrik

    2015-09-01

    Quantitative social science is not only about regression analysis or, in general, data inference. Computer simulations of social mechanisms have an over 60 years long history. They have been used for many different purposes—to test scenarios, to test the consistency of descriptive theories (proof-of-concept models), to explore emergent phenomena, for forecasting, etc. In this essay, we sketch these historical developments, the role of mechanistic models in the social sciences and the influences from the natural and formal sciences. We argue that mechanistic computational models form a natural common ground for social and natural sciences, and look forward to possible future information flow across the social-natural divide.

  13. Informing Mechanistic Toxicology with Computational Molecular Models

    EPA Science Inventory

    Computational molecular models of chemicals interacting with biomolecular targets provides toxicologists a valuable, affordable, and sustainable source of in silico molecular level information that augments, enriches, and complements in vitro and in vivo effo...

  14. Committee on Atomic, Molecular and Optical Sciences

    SciTech Connect

    Lancaster, James

    2015-06-30

    The Committee on Atomic, Molecular, and Optical Sciences (CAMOS) is a standing activity of the National Research Council (NRC) that operates under the auspices of the Board on Physics and Astronomy. CAMOS is one of five standing committees of the BPA that are charged with assisting it in achieving its goals—monitoring the health of physics and astronomy, identifying important new developments at the scientific forefronts, fostering interactions with other fields, strengthening connections to technology, facilitating effective service to the nation, and enhancing education in physics. CAMOS provides these capabilities for the atomic, molecular and optical (AMO) sciences.

  15. ICT4D: A Computer Science Perspective

    NASA Astrophysics Data System (ADS)

    Sutinen, Erkki; Tedre, Matti

    The term ICT4D refers to the opportunities of Information and Communication Technology (ICT) as an agent of development. Research in that field is often focused on evaluating the feasibility of existing technologies, mostly of Western or Far East Asian origin, in the context of developing regions. A computer science perspective is complementary to that agenda. The computer science perspective focuses on exploring the resources, or inputs, of a particular context and on basing the design of a technical intervention on the available resources, so that the output makes a difference in the development context. The modus operandi of computer science, construction, interacts with evaluation and exploration practices. An analysis of a contextualized information technology curriculum of Tumaini University in southern Tanzania shows the potential of the computer science perspective for designing meaningful information and communication technology for a developing region.

  16. Code 672 observational science branch computer networks

    NASA Technical Reports Server (NTRS)

    Hancock, D. W.; Shirk, H. G.

    1988-01-01

    In general, networking increases productivity due to the speed of transmission, easy access to remote computers, ability to share files, and increased availability of peripherals. Two different networks within the Observational Science Branch are described in detail.

  17. Computer Science Concept Inventories: Past and Future

    ERIC Educational Resources Information Center

    Taylor, C.; Zingaro, D.; Porter, L.; Webb, K. C.; Lee, C. B.; Clancy, M.

    2014-01-01

    Concept Inventories (CIs) are assessments designed to measure student learning of core concepts. CIs have become well known for their major impact on pedagogical techniques in other sciences, especially physics. Presently, there are no widely used, validated CIs for computer science. However, considerable groundwork has been performed in the form…

  18. Computational Nanotechnology Molecular Electronics, Materials and Machines

    NASA Technical Reports Server (NTRS)

    Srivastava, Deepak; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    This presentation covers research being performed on computational nanotechnology, carbon nanotubes and fullerenes at the NASA Ames Research Center. Topics cover include: nanomechanics of nanomaterials, nanotubes and composite materials, molecular electronics with nanotube junctions, kinky chemistry, and nanotechnology for solid-state quantum computers using fullerenes.

  19. Computers in the Curriculum: Science.

    ERIC Educational Resources Information Center

    Walton, Karen Doyle

    1985-01-01

    Defines microcomputer-based laboratory (MBL); discusses necessary hardware and software for operation of an MBL; reviews science applications in secondary education and eight steps involved in constructing a four-paddle interface box, the heart of an MBL; and provides information on suppliers of resources for creating an MBL. (MBR)

  20. Molecular Realizations of Quantum Computing 2007

    NASA Astrophysics Data System (ADS)

    Nakahara, Mikio; Ota, Yukihiro; Rahimi, Robabeh; Kondo, Yasushi; Tada-Umezaki, Masahito

    2009-06-01

    Liquid-state NMR quantum computer: working principle and some examples / Y. Kondo -- Flux qubits, tunable coupling and beyond / A. O. Niskanen -- Josephson phase qubits, and quantum communication via a resonant cavity / M. A. Sillanpää -- Quantum computing using pulse-based electron-nuclear double resonance (ENDOR): molecular spin-qubits / K. Sato ... [et al.] -- Fullerene C[symbol]: a possible molecular quantum computer / T. Wakabayashi -- Molecular magnets for quantum computation / T. Kuroda -- Errors in a plausible scheme of quantum gates in Kane's model / Y. Ota -- Yet another formulation for quantum simultaneous noncooperative bimatrix games / A. SaiToh, R. Rahimi, M. Nakahara -- Continuous-variable teleportation of single-photon states and an accidental cloning of a photonic qubit in two-channel teleportation / T. Ide.

  1. Group Projects and the Computer Science Curriculum

    ERIC Educational Resources Information Center

    Joy, Mike

    2005-01-01

    Group projects in computer science are normally delivered with reference to good software engineering practice. The discipline of software engineering is rapidly evolving, and the application of the latest 'agile techniques' to group projects causes a potential conflict with constraints imposed by regulating bodies on the computer science…

  2. Teaching Computer Science at a Small University

    ERIC Educational Resources Information Center

    Briner, Jack V., Jr.; Roberts, James E.; Worthy, Fred

    2005-01-01

    Small universities do not have all of the resources that larger ones do. There are fewer computers, fewer teachers, fewer technicians and of course less money. Charleston Southern University (CSU) seeks to be one of the smallest universities to meet national accreditation standards in computer science (ABET-CAC). This presentation will provide a…

  3. International Journal of Molecular Sciences 2016 Best Paper Award.

    PubMed

    International Journal Of Molecular Sciences Editorial Office

    2016-01-01

    TheEditorsoftheInternationalJournalofMolecularScienceshaveestablishedtheBestPaperAward to recognize the most outstanding articles published in the areas of molecular biology, molecular physics and chemistry that have been published in the International Journal of Molecular Sciences.[...]. PMID:27213365

  4. Computational methods for molecular docking

    SciTech Connect

    Klebe, G.; Lengauer, T.

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. Recently, it has been demonstrated that the knowledge of the three-dimensional structure of the protein can be used to derive new protein ligands with improved binding properties. This tutorial focuses on the following questions: What is its binding affinity toward a particular receptor? What are putative conformations of a ligand at the binding site? What are the similarities of different ligands in terms of their recognition capabilities? Where and in which orientation will a ligand bind to the active site? How is a new putative protein ligand selected? An overview is presented of the algorithms which are presently used to handle and predict protein-ligand interactions and to dock small molecule ligands into proteins.

  5. Computation Directorate and Science& Technology Review Computational Science and Research Featured in 2002

    SciTech Connect

    Alchorn, A L

    2003-04-04

    't improve another 10 orders of magnitude in the next 50 years. For years I have heard talk of hitting the physical limits of Moore's Law, but new technologies will take us into the next phase of computer processing power such as 3-D chips, molecular computing, quantum computing, and more. Big computers are icons or symbols of the culture and larger infrastructure that exists at LLNL to guide scientific discovery and engineering development. We have dealt with balance issues for 50 years and will continue to do so in our quest for a digital proxy of the properties of matter at extremely high temperatures and pressures. I believe that the next big computational win will be the merger of high-performance computing with information management. We already create terabytes--soon to be petabytes--of data. Efficiently storing, finding, visualizing and extracting data and turning that into knowledge which aids decision-making and scientific discovery is an exciting challenge. In the meantime, please enjoy this retrospective on computational physics, computer science, advanced software technologies, and applied mathematics performed by programs and researchers at LLNL during 2002. It offers a glimpse into the stimulating world of computational science in support of the national missions and homeland defense.

  6. College Student Notions of Computer Science

    NASA Astrophysics Data System (ADS)

    Ruslanov, Anatole D.; Yolevich, Andrew P.

    2011-08-01

    Two surveys of college students were conducted to study the students' perceptions and knowledge of computer science as a profession and as a career. Ignorance of the field was consistently observed in both samples. Students with an aptitude for computing tend to blame their high schools, media, and society for their lack of knowledge. These findings suggest that high school students need to be provided with a more balanced perspective on computing.

  7. [Progress in molecular biology study of DNA computer].

    PubMed

    Zhang, Zhi-Zhou; Zhao, Jian; He, Lin

    2003-09-01

    DNA (deoxyribonucleotide acids) computer is an emerging new study area that basically combines molecular biology study of DNA molecules and computational study on how to employ these specific molecules to calculate. In 1994 Adleman described his pioneering research on DNA computing in Science. This is the first experimental report on DNA computer study. In 2001 Benenson et al published a paper in Nature regarding a programmable and autonomous DNA computing device. Because of its Turing-like functions, the device is regarded as another milestone progress for DNA computer study. The main features of DNA computer are massively parallel computing ability and potential enormous data storage capacity. Comparing with conventional electronic computers, DNA molecules provide conceptually a revolution in computing, and more and more implications have been found in various disciplines. DNA computer studies have brought great progress not only in its own computing mechanisms, but also in DNA manipulation technologies especially nano-technology. This article presents the basic principles of DNA computer, its applications, its important relationship with genomic research and our comments on all above issues. PMID:14577383

  8. SIAM Conference on Computational Science and Engineering

    SciTech Connect

    2003-01-01

    The Second SIAM Conference on Computational Science and Engineering was held in San Diego from February 10-12, 2003. Total conference attendance was 553. This is a 23% increase in attendance over the first conference. The focus of this conference was to draw attention to the tremendous range of major computational efforts on large problems in science and engineering, to promote the interdisciplinary culture required to meet these large-scale challenges, and to encourage the training of the next generation of computational scientists. Computational Science & Engineering (CS&E) is now widely accepted, along with theory and experiment, as a crucial third mode of scientific investigation and engineering design. Aerospace, automotive, biological, chemical, semiconductor, and other industrial sectors now rely on simulation for technical decision support. For federal agencies also, CS&E has become an essential support for decisions on resources, transportation, and defense. CS&E is, by nature, interdisciplinary. It grows out of physical applications and it depends on computer architecture, but at its heart are powerful numerical algorithms and sophisticated computer science techniques. From an applied mathematics perspective, much of CS&E has involved analysis, but the future surely includes optimization and design, especially in the presence of uncertainty. Another mathematical frontier is the assimilation of very large data sets through such techniques as adaptive multi-resolution, automated feature search, and low-dimensional parameterization. The themes of the 2003 conference included, but were not limited to: Advanced Discretization Methods; Computational Biology and Bioinformatics; Computational Chemistry and Chemical Engineering; Computational Earth and Atmospheric Sciences; Computational Electromagnetics; Computational Fluid Dynamics; Computational Medicine and Bioengineering; Computational Physics and Astrophysics; Computational Solid Mechanics and Materials; CS

  9. Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Jerzy Bernholc

    2011-02-03

    will some day reach a miniaturization limit, forcing designers of Si-based electronics to pursue increased performance by other means. Any other alternative approach would have the unenviable task of matching the ability of Si technology to pack more than a billion interconnected and addressable devices on a chip the size of a thumbnail. Nevertheless, the prospects of developing alternative approaches to fabricate electronic devices have spurred an ever-increasing pace of fundamental research. One of the promising possibilities is molecular electronics (ME), self-assembled molecular-based electronic systems composed of single-molecule devices in ultra dense, ultra fast molecular-sized components. This project focused on developing accurate, reliable theoretical modeling capabilities for describing molecular electronics devices. The participants in the project are given in Table 1. The primary outcomes of this fundamental computational science grant are publications in the open scientific literature. As listed below, 62 papers have been published from this project. In addition, the research has also been the subject of more than 100 invited talks at conferences, including several plenary or keynote lectures. Many of the goals of the original proposal were completed. Specifically, the multi-disciplinary group developed a unique set of capabilities and tools for investigating electron transport in fabricated and self-assembled nanostructures at multiple length and time scales.

  10. Photochromic molecular implementations of universal computation.

    PubMed

    Chaplin, Jack C; Krasnogor, Natalio; Russell, Noah A

    2014-12-01

    Unconventional computing is an area of research in which novel materials and paradigms are utilised to implement computation. Previously we have demonstrated how registers, logic gates and logic circuits can be implemented, unconventionally, with a biocompatible molecular switch, NitroBIPS, embedded in a polymer matrix. NitroBIPS and related molecules have been shown elsewhere to be capable of modifying many biological processes in a manner that is dependent on its molecular form. Thus, one possible application of this type of unconventional computing is to embed computational processes into biological systems. Here we expand on our earlier proof-of-principle work and demonstrate that universal computation can be implemented using NitroBIPS. We have previously shown that spatially localised computational elements, including registers and logic gates, can be produced. We explain how parallel registers can be implemented, then demonstrate an application of parallel registers in the form of Turing machine tapes, and demonstrate both parallel registers and logic circuits in the form of elementary cellular automata. The Turing machines and elementary cellular automata utilise the same samples and same hardware to implement their registers, logic gates and logic circuits; and both represent examples of universal computing paradigms. This shows that homogenous photochromic computational devices can be dynamically repurposed without invasive reconfiguration. The result represents an important, necessary step towards demonstrating the general feasibility of interfacial computation embedded in biological systems or other unconventional materials and environments. PMID:25283871

  11. Probability, statistics, and computational science.

    PubMed

    Beerenwinkel, Niko; Siebourg, Juliane

    2012-01-01

    In this chapter, we review basic concepts from probability theory and computational statistics that are fundamental to evolutionary genomics. We provide a very basic introduction to statistical modeling and discuss general principles, including maximum likelihood and Bayesian inference. Markov chains, hidden Markov models, and Bayesian network models are introduced in more detail as they occur frequently and in many variations in genomics applications. In particular, we discuss efficient inference algorithms and methods for learning these models from partially observed data. Several simple examples are given throughout the text, some of which point to models that are discussed in more detail in subsequent chapters. PMID:22407706

  12. Plagiarism in computer science courses

    SciTech Connect

    Harris, J.K.

    1994-12-31

    Plagiarism of computer programs has long been a problem in higher education. Ease of electronic copying, vague understanding by students as to what constitutes plagiarism, increasing acceptance of plagiarism by students, lack of enforcement by instructors and school administrators, and a whole host of other factors contribute to plagiarism. The first step in curbing plagiarism is prevention, the second (and much less preferable) is detection. History files and software metrics can be used as a tool to aid in detecting possible plagiarism. This paper gives advice concerning how to deal with plagiarism and with using software monitors to detect plagiarism.

  13. Modeling and Computer Simulation: Molecular Dynamics and Kinetic Monte Carlo

    SciTech Connect

    Wirth, B.D.; Caturla, M.J.; Diaz de la Rubia, T.

    2000-10-10

    Recent years have witnessed tremendous advances in the realistic multiscale simulation of complex physical phenomena, such as irradiation and aging effects of materials, made possible by the enormous progress achieved in computational physics for calculating reliable, yet tractable interatomic potentials and the vast improvements in computational power and parallel computing. As a result, computational materials science is emerging as an important complement to theory and experiment to provide fundamental materials science insight. This article describes the atomistic modeling techniques of molecular dynamics (MD) and kinetic Monte Carlo (KMC), and an example of their application to radiation damage production and accumulation in metals. It is important to note at the outset that the primary objective of atomistic computer simulation should be obtaining physical insight into atomic-level processes. Classical molecular dynamics is a powerful method for obtaining insight about the dynamics of physical processes that occur on relatively short time scales. Current computational capability allows treatment of atomic systems containing as many as 10{sup 9} atoms for times on the order of 100 ns (10{sup -7}s). The main limitation of classical MD simulation is the relatively short times accessible. Kinetic Monte Carlo provides the ability to reach macroscopic times by modeling diffusional processes and time-scales rather than individual atomic vibrations. Coupling MD and KMC has developed into a powerful, multiscale tool for the simulation of radiation damage in metals.

  14. Molecular Science Research Center, 1991 annual report

    SciTech Connect

    Knotek, M.L.

    1992-03-01

    During 1991, the Molecular Science Research Center (MSRC) experienced solid growth and accomplishment and the Environmental, and Molecular Sciences Laboratory (EMSL) construction project moved forward. We began with strong programs in chemical structure and dynamics and theory, modeling, and simulation, and both these programs continued to thrive. We also made significant advances in the development of programs in materials and interfaces and macromolecular structure and dynamics, largely as a result of the key staff recruited to lead these efforts. If there was one pervasive activity for the past year, however, it was to strengthen the role of the EMSL in the overall environmental restoration and waste management (ER/WM) mission at Hanford. These extended activities involved not only MSRC and EMSL staff but all PNL scientific and technical staff engaged in ER/WM programs.

  15. FAST MOLECULAR SOLVATION ENERGETICS AND FORCE COMPUTATION.

    PubMed

    Bajaj, Chandrajit; Zhao, Wenqi

    2010-01-20

    The total free energy of a molecule includes the classical molecular mechanical energy (which is understood as the free energy in vacuum) and the solvation energy which is caused by the change of the environment of the molecule (solute) from vacuum to solvent. The solvation energy is important to the study of the inter-molecular interactions. In this paper we develop a fast surface-based generalized Born method to compute the electrostatic solvation energy along with the energy derivatives for the solvation forces. The most time-consuming computation is the evaluation of the surface integrals over an algebraic spline molecular surface (ASMS) and the fast computation is achieved by the use of the nonequispaced fast Fourier transform (NFFT) algorithm. The main results of this paper involve (a) an efficient sampling of quadrature points over the molecular surface by using nonlinear patches, (b) fast linear time estimation of energy and inter-molecular forces, (c) error analysis, and (d) efficient implementation combining fast pairwise summation and the continuum integration using nonlinear patches. PMID:20200598

  16. Computing by molecular self-assembly

    PubMed Central

    Jonoska, Nataša; Seeman, Nadrian C.

    2012-01-01

    The paper reviews two computing models by DNA self-assembly whose proof of principal have recently been experimentally confirmed. The first model incorporates DNA nano-devices and triple crossover DNA molecules to algorithmically arrange non-DNA species. This is achieved by simulating a finite-state automaton with output where golden nanoparticles are assembled to read-out the result. In the second model, a complex DNA molecule representing a graph emerges as a solution of a computational problem. This supports the idea that in molecular self-assembly computing, it may be necessary to develop the notion of shape processing besides the classical approach through symbol processing. PMID:23919130

  17. Seeing beyond Computer Science and Software Engineering

    NASA Astrophysics Data System (ADS)

    Nori, Kesav Vithal

    The boundaries of computer science are defined by what symbolic computation can accomplish. Software Engineering is concerned with effective use of computing technology to support automatic computation on a large scale so as to construct desirable solutions to worthwhile problems. Both focus on what happens within the machine. In contrast, most practical applications of computing support end-users in realizing (often unsaid) objectives. It is often said that such objectives cannot be even specified, e.g., what is the specification of MS Word, or for that matter, any flavour of UNIX? This situation points to the need for architecting what people do with computers. Based on Systems Thinking and Cybernetics, we present such a viewpoint which hinges on Human Responsibility and means of living up to it.

  18. Constructing a Computer from Molecular Components

    NASA Astrophysics Data System (ADS)

    Tour, James

    2005-03-01

    Constructing a Computer from Molecular Components Research efforts directed toward constructing a molecular computer will be described in the context of recent developments in nanotechnology. Routes will be outlined from the synthesis of the basic building blocks such as wires and alligator clips, to the assembly of the processing functional blocks. Specific achievements include: (1) isolation of single molecules in alkane thiolate self-assembled monolayers and addressing them with an STM probe, (2) single molecule conductance measurements using a mechanically controllable break junction, (3) 30 nm bundles, approximately 1000 molecules, of precisely tailored molecular structures showing negative differential resistance with peak-to-valley responses far exceeding those for solid state devices, (4) dynamic random access memories (DRAMs) constructed from 1000 molecule units that possess 15 minute information hold times at room temperature, (5) demonstration of single-molecule switching events and (6) initial assemblies and programming of molecular CPUs in a NanoCell configuration that show room temperature electronic memory with days or electronic hold time, and the programming of logic gates such as AND, OR, NAND and NOR gates. Full silicon-molecule interfaces are used in the generation 3 NanoCell, as well as molecular FETs (MoleFETs). Finally, a molecular testbed has been developed that involves only semiconductor contacts (no metal contacts) to the molecules, thereby mitigating electromigration.

  19. Democratizing Children's Computation: Learning Computational Science as Aesthetic Experience

    ERIC Educational Resources Information Center

    Farris, Amy Voss; Sengupta, Pratim

    2016-01-01

    In this essay, Amy Voss Farris and Pratim Sengupta argue that a democratic approach to children's computing education in a science class must focus on the "aesthetics" of children's experience. In "Democracy and Education," Dewey links "democracy" with a distinctive understanding of "experience." For Dewey,…

  20. Science Prospects And Benefits with Exascale Computing

    SciTech Connect

    Kothe, Douglas B

    2007-12-01

    Scientific computation has come into its own as a mature technology in all fields of science. Never before have we been able to accurately anticipate, analyze, and plan for complex events that have not yet occurred from the operation of a reactor running at 100 million degrees centigrade to the changing climate a century down the road. Combined with the more traditional approaches of theory and experiment, scientific computation provides a profound tool for insight and solution as we look at complex systems containing billions of components. Nevertheless, it cannot yet do all we would like. Much of scientific computation s potential remains untapped in areas such as materials science, Earth science, energy assurance, fundamental science, biology and medicine, engineering design, and national security because the scientific challenges are far too enormous and complex for the computational resources at hand. Many of these challenges are of immediate global importance. These challenges can be overcome by a revolution in computing that promises real advancement at a greatly accelerated pace. Planned petascale systems (capable of a petaflop, or 1015 floating point operations per second) in the next 3 years and exascale systems (capable of an exaflop, or 1018 floating point operations per second) in the next decade will provide an unprecedented opportunity to attack these global challenges through modeling and simulation. Exascale computers, with a processing capability similar to that of the human brain, will enable the unraveling of longstanding scientific mysteries and present new opportunities. Table ES.1 summarizes these scientific opportunities, their key application areas, and the goals and associated benefits that would result from solutions afforded by exascale computing.

  1. Teaching Computer Science Courses in Distance Learning

    ERIC Educational Resources Information Center

    Huan, Xiaoli; Shehane, Ronald; Ali, Adel

    2011-01-01

    As the success of distance learning (DL) has driven universities to increase the courses offered online, certain challenges arise when teaching computer science (CS) courses to students who are not physically co-located and have individual learning schedules. Teaching CS courses involves high level demonstrations and interactivity between the…

  2. Learning Computer Science Concepts with Scratch

    ERIC Educational Resources Information Center

    Meerbaum-Salant, Orni; Armoni, Michal; Ben-Ari, Mordechai

    2013-01-01

    Scratch is a visual programming environment that is widely used by young people. We investigated if Scratch can be used to teach concepts of computer science (CS). We developed learning materials for middle-school students that were designed according to the constructionist philosophy of Scratch and evaluated them in a few schools during two…

  3. The Student/Library Computer Science Collaborative

    ERIC Educational Resources Information Center

    Hahn, Jim

    2015-01-01

    With funding from an Institute of Museum and Library Services demonstration grant, librarians of the Undergraduate Library at the University of Illinois at Urbana-Champaign partnered with students in computer science courses to design and build student-centered mobile apps. The grant work called for demonstration of student collaboration…

  4. Computer Simulations in the Science Classroom.

    ERIC Educational Resources Information Center

    Richards, John; And Others

    1992-01-01

    Explorer is an interactive environment based on a constructivist epistemology of learning that integrates animated computer models with analytic capabilities for learning science. The system includes graphs, a spreadsheet, scripting, and interactive tools. Two examples involving the dynamics of colliding objects and electric circuits illustrate…

  5. Computer Software Designs for College Science Courses.

    ERIC Educational Resources Information Center

    Jain, Duli C.; And Others

    1985-01-01

    Computer-assisted-instruction software was developed to supplement the conventional lecture-laboratory mode of instruction with another instructional aid for learning science in an individualized, nonthreatening environment. This development project was designed to teach physical concepts, mathematical techniques, and problem solving strategies.…

  6. Computer Clinical Simulations in Health Sciences.

    ERIC Educational Resources Information Center

    Jones, Gary L; Keith, Kenneth D.

    1983-01-01

    Discusses the key characteristics of clinical simulation, some developmental foundations, two current research studies, and some implications for the future of health science education. Investigations of the effects of computer-based simulation indicate that acquisition of decision-making skills is greater than with noncomputerized simulations.…

  7. A Computer-Integrated Science Plan.

    ERIC Educational Resources Information Center

    Fillebrown-DiDomenico, Karen

    1992-01-01

    Describes secondary science programs designed to meet the educational, behavioral, social, and emotional needs of students who do not appear able to benefit from, or adapt to, the traditional educational system. Includes an outline of lessons encompassing a multidisciplinary, computer integration plan for hatching chicken eggs, and directions for…

  8. Teaching Computer Science to Health Professionals.

    ERIC Educational Resources Information Center

    Safir, Aran; And Others

    1981-01-01

    In 1971 the National Library of Medicine underwrote the promotion of computer technology integration into clinical medicine by providing graduate-level training for faculty members in the health sciences. The experience of the Mount Sinai School of Medicine in the implementation of an NLM training grant is reported. (MLW)

  9. Computational Experiments for Science and Engineering Education

    NASA Technical Reports Server (NTRS)

    Xie, Charles

    2011-01-01

    How to integrate simulation-based engineering and science (SBES) into the science curriculum smoothly is a challenging question. For the importance of SBES to be appreciated, the core value of simulations-that they help people understand natural phenomena and solve engineering problems-must be taught. A strategy to achieve this goal is to introduce computational experiments to the science curriculum to replace or supplement textbook illustrations and exercises and to complement or frame hands-on or wet lab experiments. In this way, students will have an opportunity to learn about SBES without compromising other learning goals required by the standards and teachers will welcome these tools as they strengthen what they are already teaching. This paper demonstrates this idea using a number of examples in physics, chemistry, and engineering. These exemplary computational experiments show that it is possible to create a curriculum that is both deeper and wider.

  10. Computational thinking in life science education.

    PubMed

    Rubinstein, Amir; Chor, Benny

    2014-11-01

    We join the increasing call to take computational education of life science students a step further, beyond teaching mere programming and employing existing software tools. We describe a new course, focusing on enriching the curriculum of life science students with abstract, algorithmic, and logical thinking, and exposing them to the computational "culture." The design, structure, and content of our course are influenced by recent efforts in this area, collaborations with life scientists, and our own instructional experience. Specifically, we suggest that an effective course of this nature should: (1) devote time to explicitly reflect upon computational thinking processes, resisting the temptation to drift to purely practical instruction, (2) focus on discrete notions, rather than on continuous ones, and (3) have basic programming as a prerequisite, so students need not be preoccupied with elementary programming issues. We strongly recommend that the mere use of existing bioinformatics tools and packages should not replace hands-on programming. Yet, we suggest that programming will mostly serve as a means to practice computational thinking processes. This paper deals with the challenges and considerations of such computational education for life science students. It also describes a concrete implementation of the course and encourages its use by others. PMID:25411839

  11. Computational Thinking in Life Science Education

    PubMed Central

    Rubinstein, Amir; Chor, Benny

    2014-01-01

    We join the increasing call to take computational education of life science students a step further, beyond teaching mere programming and employing existing software tools. We describe a new course, focusing on enriching the curriculum of life science students with abstract, algorithmic, and logical thinking, and exposing them to the computational “culture.” The design, structure, and content of our course are influenced by recent efforts in this area, collaborations with life scientists, and our own instructional experience. Specifically, we suggest that an effective course of this nature should: (1) devote time to explicitly reflect upon computational thinking processes, resisting the temptation to drift to purely practical instruction, (2) focus on discrete notions, rather than on continuous ones, and (3) have basic programming as a prerequisite, so students need not be preoccupied with elementary programming issues. We strongly recommend that the mere use of existing bioinformatics tools and packages should not replace hands-on programming. Yet, we suggest that programming will mostly serve as a means to practice computational thinking processes. This paper deals with the challenges and considerations of such computational education for life science students. It also describes a concrete implementation of the course and encourages its use by others. PMID:25411839

  12. [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.

  13. Computational ecology as an emerging science

    PubMed Central

    Petrovskii, Sergei; Petrovskaya, Natalia

    2012-01-01

    It has long been recognized that numerical modelling and computer simulations can be used as a powerful research tool to understand, and sometimes to predict, the tendencies and peculiarities in the dynamics of populations and ecosystems. It has been, however, much less appreciated that the context of modelling and simulations in ecology is essentially different from those that normally exist in other natural sciences. In our paper, we review the computational challenges arising in modern ecology in the spirit of computational mathematics, i.e. with our main focus on the choice and use of adequate numerical methods. Somewhat paradoxically, the complexity of ecological problems does not always require the use of complex computational methods. This paradox, however, can be easily resolved if we recall that application of sophisticated computational methods usually requires clear and unambiguous mathematical problem statement as well as clearly defined benchmark information for model validation. At the same time, many ecological problems still do not have mathematically accurate and unambiguous description, and available field data are often very noisy, and hence it can be hard to understand how the results of computations should be interpreted from the ecological viewpoint. In this scientific context, computational ecology has to deal with a new paradigm: conventional issues of numerical modelling such as convergence and stability become less important than the qualitative analysis that can be provided with the help of computational techniques. We discuss this paradigm by considering computational challenges arising in several specific ecological applications. PMID:23565336

  14. Computer simulations in the science classroom

    NASA Astrophysics Data System (ADS)

    Richards, John; Barowy, William; Levin, Dov

    1992-03-01

    In this paper we describe software for science instruction that is based upon a constructivist epistemology of learning. From a constructivist perspective, the process of learning is viewed as an active construction of knowledge, rather than a passive reception of information. The computer has the potential to provide an environment in which students can explore their understanding and better construct scientific knowledge. The Explorer is an interactive environment that integrates animated computer models with analytic capabilities for learning and teaching science. The system include graphs, a spreadsheet, scripting, and interactive tools. During formative evaluation of Explorer in the classroom, we have focused on learning the function and effectiveness of computer models in teaching science. Models have helped students relate theory to experiment when used in conjunction with hands-on activities and when the simulation addressed students' naive understanding of the phenomena. Two classroom examples illustrate our findings. The first is based on the dynamics of colliding objects. The second describes a class modeling the function of simple electric circuits. The simulations bridge between phenomena and theory by providing an abstract representation on which students may make measurements. Simulations based on scientific theory help to provide a set of interrelated experiences that challenge students' informal understanding of the science.

  15. Scientific Visualization and Computational Science: Natural Partners

    NASA Technical Reports Server (NTRS)

    Uselton, Samuel P.; Lasinski, T. A. (Technical Monitor)

    1995-01-01

    Scientific visualization is developing rapidly, stimulated by computational science, which is gaining acceptance as a third alternative to theory and experiment. Computational science is based on numerical simulations of mathematical models derived from theory. But each individual simulation is like a hypothetical experiment; initial conditions are specified, and the result is a record of the observed conditions. Experiments can be simulated for situations that can not really be created or controlled. Results impossible to measure can be computed.. Even for observable values, computed samples are typically much denser. Numerical simulations also extend scientific exploration where the mathematics is analytically intractable. Numerical simulations are used to study phenomena from subatomic to intergalactic scales and from abstract mathematical structures to pragmatic engineering of everyday objects. But computational science methods would be almost useless without visualization. The obvious reason is that the huge amounts of data produced require the high bandwidth of the human visual system, and interactivity adds to the power. Visualization systems also provide a single context for all the activities involved from debugging the simulations, to exploring the data, to communicating the results. Most of the presentations today have their roots in image processing, where the fundamental task is: Given an image, extract information about the scene. Visualization has developed from computer graphics, and the inverse task: Given a scene description, make an image. Visualization extends the graphics paradigm by expanding the possible input. The goal is still to produce images; the difficulty is that the input is not a scene description displayable by standard graphics methods. Visualization techniques must either transform the data into a scene description or extend graphics techniques to display this odd input. Computational science is a fertile field for visualization

  16. Environmental Molecular Sciences Laboratory 2004 Annual Report

    SciTech Connect

    White, Julia C.

    2005-04-17

    This 2004 Annual Report describes the research and accomplishments of staff and users of the W.R. Wiley Environmental Molecular Sciences Laboratory (EMSL), located in Richland, Washington. EMSL is a multidisciplinary, national scientific user facility and research organization, operated by Pacific Northwest National Laboratory (PNNL) for the U.S. Department of Energy's Office of Biological and Environmental Research. The resources and opportunities within the facility are an outgrowth of the U.S. Department of Energy's (DOE) commitment to fundamental research for understanding and resolving environmental and other critical scientific issues.

  17. Basis Set Exchange: A Community Database for Computational Sciences

    SciTech Connect

    Schuchardt, Karen L.; Didier, Brett T.; Elsethagen, Todd O.; Sun, Lisong; Gurumoorthi, Vidhya; Chase, Jared M.; Li, Jun; Windus, Theresa L.

    2007-05-01

    Basis sets are one of the most important input data for computational models in the chemistry, materials, biology and other science domains that utilize computational quantum mechanics methods. Providing a shared, web accessible environment where researchers can not only download basis sets in their required format, but browse the data, contribute new basis sets, and ultimately curate and manage the data as a community will facilitate growth of this resource and encourage sharing both data and knowledge. We describe the Basis Set Exchange (BSE), a web portal that provides advanced browsing and download capabilities, facilities for contributing basis set data, and an environment that incorporates tools to foster development and interaction of communities. The BSE leverages and enables continued development of the basis set library originally assembled at the Environmental Molecular Sciences Laboratory.

  18. Computer programming: Science, art, or both?

    NASA Astrophysics Data System (ADS)

    Gum, Sandra Trent

    The purpose of this study was to determine if spatial intelligence contributes to a student's success in a computer science major or if mathematical-logical intelligence is sufficient data on which to base a prediction of success. The study was performed at a small university. The sample consisted of 15 computer science (CS) majors, enrolled in a computer science class, and 15 non-CS-majors, enrolled in a statistics class. Seven of the CS-majors were considered advanced and seven were considered less advanced. The independent measures were: the mathematics and the English scores from the ACT/SAT (CS-majors); a questionnaire to obtain personal information; the major area of study which compared CS-majors to all other majors; and the number of completed computer science classes (CS-majors) to determine advanced and less advanced CS-majors. The dependent measures were: a multiple intelligence inventory for adults to determine perception of intelligences; the GEFT to determine field independence independence; the Card Rotations Test to determine spatial orientation ability; the Maze Tracing Speed Test to determine spatial scanning ability; and the Surface Development test to determine visualization ability. The visualization measure correlated positively and significantly with the GEFT. The year in college correlated positively and significantly with the GEFT and visualization measure for CS-majors and correlated negatively for non-CS-majors. Although non-CS-majors scored higher on the spatial orientation measure, CS-majors scored significantly higher on the spatial scanning measure. The year in college correlated negatively with many of the measures and perceptions of intelligences among both groups; however, there were more significant negative correlations among non-CS-majors. Results indicated that experience in computer programming may increase field independence, visualization ability, and spatial scanning ability while decreasing spatial orientation ability. The

  19. Molecular Similarity in Computer-Aided Molecular Design.

    NASA Astrophysics Data System (ADS)

    Hodgkin, Edward E.

    Available from UMI in association with The British Library. Requires signed TDF. The quantitative measurement of how similar one molecule is to another is investigated as a potential aid to molecular design. The work concentrates on the comparison of electronic properties of molecules, in particular electron density distribution, molecular electrostatic potential, molecular electric field and frontier orbital wavefunctions. A novel formula for molecular similarity has been devised and applied to these four properties. An approximate representation of valence electron density is used, based on the notion that charge distribution in a large molecule may be built from transferable contributions from its constituent functional groups. Each of these contributions consists of a series of first-order gaussian functions. The electrostatic potentials and electric fields used in the similarity calculations are computed from atom -centered partial charges. The frontier orbital wavefunction comparisons are performed using the extended Huckel method. The four measures of similarity are related to chemical and biological data and shown to have possible applications in the area of drug design.

  20. Creating science simulations through Computational Thinking Patterns

    NASA Astrophysics Data System (ADS)

    Basawapatna, Ashok Ram

    Computational thinking aims to outline fundamental skills from computer science that everyone should learn. As currently defined, with help from the National Science Foundation (NSF), these skills include problem formulation, logically organizing data, automating solutions through algorithmic thinking, and representing data through abstraction. One aim of the NSF is to integrate these and other computational thinking concepts into the classroom. End-user programming tools offer a unique opportunity to accomplish this goal. An end-user programming tool that allows students with little or no prior experience the ability to create simulations based on phenomena they see in-class could be a first step towards meeting most, if not all, of the above computational thinking goals. This thesis describes the creation, implementation and initial testing of a programming tool, called the Simulation Creation Toolkit, with which users apply high-level agent interactions called Computational Thinking Patterns (CTPs) to create simulations. Employing Computational Thinking Patterns obviates lower behavior-level programming and allows users to directly create agent interactions in a simulation by making an analogy with real world phenomena they are trying to represent. Data collected from 21 sixth grade students with no prior programming experience and 45 seventh grade students with minimal programming experience indicates that this is an effective first step towards enabling students to create simulations in the classroom environment. Furthermore, an analogical reasoning study that looked at how users might apply patterns to create simulations from high- level descriptions with little guidance shows promising results. These initial results indicate that the high level strategy employed by the Simulation Creation Toolkit is a promising strategy towards incorporating Computational Thinking concepts in the classroom environment.

  1. Research Institute for Advanced Computer Science

    NASA Technical Reports Server (NTRS)

    Gross, Anthony R. (Technical Monitor); Leiner, Barry M.

    2000-01-01

    The Research Institute for Advanced Computer Science (RIACS) carries out basic research and technology development in computer science, in support of the National Aeronautics and Space Administration's missions. RIACS is located at the NASA Ames Research Center. It currently operates under a multiple year grant/cooperative agreement that began on October 1, 1997 and is up for renewal in the year 2002. Ames has been designated NASA's Center of Excellence in Information Technology. In this capacity, Ames is charged with the responsibility to build an Information Technology Research Program that is preeminent within NASA. RIACS serves as a bridge between NASA Ames and the academic community, and RIACS scientists and visitors work in close collaboration with NASA scientists. RIACS has the additional goal of broadening the base of researchers in these areas of importance to the nation's space and aeronautics enterprises. RIACS research focuses on the three cornerstones of information technology research necessary to meet the future challenges of NASA missions: (1) Automated Reasoning for Autonomous Systems. Techniques are being developed enabling spacecraft that will be self-guiding and self-correcting to the extent that they will require little or no human intervention. Such craft will be equipped to independently solve problems as they arise, and fulfill their missions with minimum direction from Earth; (2) Human-Centered Computing. Many NASA missions require synergy between humans and computers, with sophisticated computational aids amplifying human cognitive and perceptual abilities; (3) High Performance Computing and Networking. Advances in the performance of computing and networking continue to have major impact on a variety of NASA endeavors, ranging from modeling and simulation to data analysis of large datasets to collaborative engineering, planning and execution. In addition, RIACS collaborates with NASA scientists to apply information technology research to a

  2. NASA Center for Computational Sciences: History and Resources

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The Nasa Center for Computational Sciences (NCCS) has been a leading capacity computing facility, providing a production environment and support resources to address the challenges facing the Earth and space sciences research community.

  3. Making Computer Science More Accessible to Educationally Disadvantaged Students.

    ERIC Educational Resources Information Center

    Sanders, Ian; Mueller, Conrad

    1994-01-01

    Addresses how the Department of Computer Science at the University of the Witwatersrand in South Africa has attempted to make computer science accessible to students who have been disadvantaged by the apartheid system. (Author/MKR)

  4. Institute for Computer Applications in Science and Engineering (ICASE)

    NASA Technical Reports Server (NTRS)

    1984-01-01

    Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science during the period April 1, 1983 through September 30, 1983 is summarized.

  5. [Research activities in applied mathematics, fluid mechanics, and computer science

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period April 1, 1995 through September 30, 1995.

  6. Research in Applied Mathematics, Fluid Mechanics and Computer Science

    NASA Technical Reports Server (NTRS)

    1999-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1998 through March 31, 1999.

  7. Is ""predictability"" in computational sciences a myth?

    SciTech Connect

    Hemez, Francois M

    2011-01-31

    Within the last two decades, Modeling and Simulation (M&S) has become the tool of choice to investigate the behavior of complex phenomena. Successes encountered in 'hard' sciences are prompting interest to apply a similar approach to Computational Social Sciences in support, for example, of national security applications faced by the Intelligence Community (IC). This manuscript attempts to contribute to the debate on the relevance of M&S to IC problems by offering an overview of what it takes to reach 'predictability' in computational sciences. Even though models developed in 'soft' and 'hard' sciences are different, useful analogies can be drawn. The starting point is to view numerical simulations as 'filters' capable to represent information only within specific length, time or energy bandwidths. This simplified view leads to the discussion of resolving versus modeling which motivates the need for sub-scale modeling. The role that modeling assumptions play in 'hiding' our lack-of-knowledge about sub-scale phenomena is explained which leads to discussing uncertainty in simulations. It is argued that the uncertainty caused by resolution and modeling assumptions should be dealt with differently than uncertainty due to randomness or variability. The corollary is that a predictive capability cannot be defined solely as accuracy, or ability of predictions to match the available physical observations. We propose that 'predictability' is the demonstration that predictions from a class of 'equivalent' models are as consistent as possible. Equivalency stems from defining models that share a minimum requirement of accuracy, while being equally robust to the sources of lack-of-knowledge in the problem. Examples in computational physics and engineering are given to illustrate the discussion.

  8. Molecular physiology of rhodopsin: Computer simulation

    NASA Astrophysics Data System (ADS)

    Fel'Dman, T. B.; Kholmurodov, Kh. T.; Ostrovsky, M. A.

    2008-03-01

    Computer simulation is used for comparative investigation of the molecular dynamics of rhodopsin containing the chromophore group (11- cis-retinal) and free opsin. Molecular dynamics is traced within a time interval of 3000 ps; 3 × 106 discrete conformational states of rhodopsin and opsin are obtained and analyzed. It is demonstrated that the presence of the chromophore group in the chromophore center of opsin influences considerably the nearest protein environment of 11- cis-retinal both in the region of the β-ionone ring and in the region of the protonated Schiff base bond. Based on simulation results, a possible intramolecular mechanism of keeping rhodopsin as a G-protein-coupled receptor in the inactive state, i.e., the chromophore function as an efficient ligand antagonist, is discussed.

  9. Scientific data management in the environmental molecular sciences laboratory

    SciTech Connect

    Bernard, P.R.; Keller, T.L.

    1995-09-01

    The Environmental Molecular Sciences Laboratory (EMSL) is currently under construction at Pacific Northwest Laboratory (PNL) for the U.S. Department of Energy (DOE). This laboratory will be used for molecular and environmental sciences research to identify comprehensive solutions to DOE`s environmental problems. Major facilities within the EMSL include the Molecular Sciences Computing Facility (MSCF), a laser-surface dynamics laboratory, a high-field nuclear magnetic resonance (NMR) laboratory, and a mass spectrometry laboratory. The EMSL is scheduled to open early in 1997 and will house about 260 resident and visiting scientists. It is anticipated that at least six (6) terabytes of data will be archived in the first year of operation. An object-oriented database management system (OODBMS) and a mass storage system will be integrated to provide an intelligent, automated mechanism to manage data. The resulting system, called the DataBase Computer System (DBCS), will provide total scientific data management capabilities to EMSL users. A prototype mass storage system based on the National Storage Laboratory`s (NSL) UniTree has been procured and is in limited use. This system consists of two independent hierarchies of storage devices. One hierarchy of lower capacity, slower speed devices provides support for smaller files transferred over the Fiber Distributed Data Interface (FDDI) network. Also part of the system is a second hierarchy of higher capacity, higher speed devices that will be used to support high performance clients (e.g., a large scale parallel processor). The ObjectStore OODBMS will be used to manage metadata for archived datasets, maintain relationships between archived datasets, and -hold small, duplicate subsets of archived datasets (i.e., derivative data). The interim system is called DBCS, Phase 0 (DBCS-0). The production system for the EMSL, DBCS Phase 1 (DBCS-1), will be procured and installed in the summer of 1996.

  10. Hispanic Women Overcoming Deterrents to Computer Science: A Phenomenological Study

    ERIC Educational Resources Information Center

    Herling, Lourdes

    2011-01-01

    The products of computer science are important to all aspects of society and are tools in the solution of the world's problems. It is, therefore, troubling that the United States faces a shortage in qualified graduates in computer science. The number of women and minorities in computer science is significantly lower than the percentage of the…

  11. Marrying Content and Process in Computer Science Education

    ERIC Educational Resources Information Center

    Zendler, A.; Spannagel, C.; Klaudt, D.

    2011-01-01

    Constructivist approaches to computer science education emphasize that as well as knowledge, thinking skills and processes are involved in active knowledge construction. K-12 computer science curricula must not be based on fashions and trends, but on contents and processes that are observable in various domains of computer science, that can be…

  12. Factors Influencing Exemplary Science Teachers' Levels of Computer Use

    ERIC Educational Resources Information Center

    Hakverdi, Meral; Dana, Thomas M.; Swain, Colleen

    2011-01-01

    The purpose of this study was to examine exemplary science teachers' use of technology in science instruction, factors influencing their level of computer use, their level of knowledge/skills in using specific computer applications for science instruction, their use of computer-related applications/tools during their instruction, and their…

  13. Empirical Determination of Competence Areas to Computer Science Education

    ERIC Educational Resources Information Center

    Zendler, Andreas; Klaudt, Dieter; Seitz, Cornelia

    2014-01-01

    The authors discuss empirically determined competence areas to K-12 computer science education, emphasizing the cognitive level of competence. The results of a questionnaire with 120 professors of computer science serve as a database. By using multi-dimensional scaling and cluster analysis, four competence areas to computer science education…

  14. 78 FR 10180 - Annual Computational Science Symposium; Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-13

    ... HUMAN SERVICES Food and Drug Administration Annual Computational Science Symposium; Conference AGENCY... public conference entitled ``The FDA/PhUSE Annual Computational Science Symposium.'' The purpose of the conference is to help the broader community align and share experiences to advance computational science....

  15. Breadth-Oriented Outcomes Assessment in Computer Science.

    ERIC Educational Resources Information Center

    Cordes, David; And Others

    Little work has been done regarding the overall assessment of quality of computer science graduates at the undergraduate level. This paper reports on a pilot study at the University of Alabama of a prototype computer science outcomes assessment designed to evaluate the breadth of knowledge of computer science seniors. The instrument evaluated two…

  16. Theory VI. Computational Materials Sciences Network (CMSN)

    SciTech Connect

    Zhang, Z Y

    2008-06-25

    The Computational Materials Sciences Network (CMSN) is a virtual center consisting of scientists interested in working together, across organizational and disciplinary boundaries, to formulate and pursue projects that reflect challenging and relevant computational research in the materials sciences. The projects appropriate for this center involve those problems best pursued through broad cooperative efforts, rather than those key problems best tackled by single investigator groups. CMSN operates similarly to the DOE Center of Excellence for the Synthesis and Processing of Advanced Materials, coordinated by George Samara at Sandia. As in the Synthesis and Processing Center, the intent of the modest funding for CMSN is to foster partnering and collective activities. All CMSN proposals undergo external peer review and are judged foremost on the quality and timeliness of the science and also on criteria relevant to the objective of the center, especially concerning a strategy for partnering. More details about CMSN can be found on the CMSN webpages at: http://cmpweb.ameslab.gov/ccms/CMSN-homepage.html.

  17. Advances and challenges in computational plasma science

    NASA Astrophysics Data System (ADS)

    Tang, W. M.

    2005-02-01

    Scientific simulation, which provides a natural bridge between theory and experiment, is an essential tool for understanding complex plasma behaviour. Recent advances in simulations of magnetically confined plasmas are reviewed in this paper, with illustrative examples, chosen from associated research areas such as microturbulence, magnetohydrodynamics and other topics. Progress has been stimulated, in particular, by the exponential growth of computer speed along with significant improvements in computer technology. The advances in both particle and fluid simulations of fine-scale turbulence and large-scale dynamics have produced increasingly good agreement between experimental observations and computational modelling. This was enabled by two key factors: (a) innovative advances in analytic and computational methods for developing reduced descriptions of physics phenomena spanning widely disparate temporal and spatial scales and (b) access to powerful new computational resources. Excellent progress has been made in developing codes for which computer run-time and problem-size scale well with the number of processors on massively parallel processors (MPPs). Examples include the effective usage of the full power of multi-teraflop (multi-trillion floating point computations per second) MPPs to produce three-dimensional, general geometry, nonlinear particle simulations that have accelerated advances in understanding the nature of turbulence self-regulation by zonal flows. 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 looking towards the future, the current 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. This

  18. Computational Studies in Molecular Geochemistry and Biogeochemistry

    SciTech Connect

    Felmy, Andrew R.; Bylaska, Eric J.; Dixon, David A.; Dupuis, Michel; Halley, James W.; Kawai, R.; Rosso, Kevin M.; Rustad, James R.; Smith, Paul E.; Straatsma, TP; Voth, Gregory A.; Weare, John H.; Yuen, David A.

    2006-04-18

    The ability to predict the transport and transformations of contaminants within the subsurface is critical for decisions on virtually every waste disposal option facing the Department of Energy (DOE), from remediation technologies such as in situ bioremediation to evaluations of the safety of nuclear waste repositories. With this fact in mind, the DOE has recently sponsored a series of workshops on the development of a Strategic Simulation Plan on applications of high perform-ance computing to national problems of significance to the DOE. One of the areas selected for application was in the area of subsurface transport and environmental chemistry. Within the SSP on subsurface transport and environmental chemistry several areas were identified where applications of high performance computing could potentially significantly advance our knowledge of contaminant fate and transport. Within each of these areas molecular level simulations were specifically identified as a key capability necessary for the development of a fundamental mechanistic understanding of complex biogeochemical processes. This effort consists of a series of specific molecular level simulations and program development in four key areas of geochemistry/biogeochemistry (i.e., aqueous hydrolysis, redox chemistry, mineral surface interactions, and microbial surface properties). By addressing these four differ-ent, but computationally related, areas it becomes possible to assemble a team of investigators with the necessary expertise in high performance computing, molecular simulation, and geochemistry/biogeochemistry to make significant progress in each area. The specific targeted geochemical/biogeochemical issues include: Microbial surface mediated processes: the effects of lipopolysacchardies present on gram-negative bacteria. Environmental redox chemistry: Dechlorination pathways of carbon tetrachloride and other polychlorinated compounds in the subsurface. Mineral surface interactions: Describing

  19. Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

    NASA Technical Reports Server (NTRS)

    1988-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April l, 1988 through September 30, 1988.

  20. Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 1, 1986 through March 31, 1987 is summarized.

  1. Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April, 1986 through September 30, 1986 is summarized.

  2. Factors influencing exemplary science teachers' levels of computer use

    NASA Astrophysics Data System (ADS)

    Hakverdi, Meral

    This study examines exemplary science teachers' use of technology in science instruction, factors influencing their level of computer use, their level of knowledge/skills in using specific computer applications for science instruction, their use of computer-related applications/tools during their instruction, and their students' use of computer applications/tools in or for their science class. After a relevant review of the literature certain variables were selected for analysis. These variables included personal self-efficacy in teaching with computers, outcome expectancy, pupil-control ideology, level of computer use, age, gender, teaching experience, personal computer use, professional computer use and science teachers' level of knowledge/skills in using specific computer applications for science instruction. The sample for this study includes middle and high school science teachers who received the Presidential Award for Excellence in Science Teaching Award (sponsored by the White House and the National Science Foundation) between the years 1997 and 2003 from all 50 states and U.S. territories. Award-winning science teachers were contacted about the survey via e-mail or letter with an enclosed return envelope. Of the 334 award-winning science teachers, usable responses were received from 92 science teachers, which made a response rate of 27.5%. Analysis of the survey responses indicated that exemplary science teachers have a variety of knowledge/skills in using computer related applications/tools. The most commonly used computer applications/tools are information retrieval via the Internet, presentation tools, online communication, digital cameras, and data collection probes. Results of the study revealed that students' use of technology in their science classroom is highly correlated with the frequency of their science teachers' use of computer applications/tools. The results of the multiple regression analysis revealed that personal self-efficacy related to

  3. Building a Collaboratory in Environmental and Molecular Science

    SciTech Connect

    Kouzes, R.T.; Myers, J.D.; Devaney, D.M.; Dunning, T.H.; Wise, J.A.

    1994-03-01

    A Collaboratory is a meta-laboratory that spans multiple geographical areas with collaborators interacting via electronic means. Collaboratories are designed to enable close ties between scientists in a given research area, promote collaborations involving scientists in diverse areas, accelerate the development and dissemination of basic knowledge, and minimize the time-lag between discovery and application. PNL is developing the concept of an Environmental and Molecular Sciences Collaboratory (EMSC) as a natural evolution of the EMSL project. The goal of the EMSC is to increase the efficiency of research and reduce the time required to implement new environmental remediation and preservation technologies. The EMSC will leverage the resources (intellectual and physical) of the EMSL by making them more accessible to remote collaborators as well as by making the resources of remote sites available to local researchers. It will provide a common set of computer hardware and software tools to support remote collaboration, a key step in establishing a collaborative culture for scientists in the theoretical, computational, and experimental molecular sciences across the nation. In short, the EMSC will establish and support an `electronic community of scientists researching and developing innovative environmental preservation and restoration technologies.

  4. Computer Applications in Health Science Education.

    PubMed

    Juanes, Juan A; Ruisoto, Pablo

    2015-09-01

    In recent years, computer application development has experienced exponential growth, not only in the number of publications but also in the scope or contexts that have benefited from its use. In health science training, and medicine specifically, the gradual incorporation of technological developments has transformed the teaching and learning process, resulting in true "educational technology". The goal of this paper is to review the main features involved in these applications and highlight the main lines of research for the future. The results of peer reviewed literature published recently indicate the following features shared by the key technological developments in the field of health science education: first, development of simulation and visualization systems for a more complete and realistic representation of learning material over traditional paper format; second, portability and versatility of the applications, adapted for an increasing number of devices and operative systems; third, increasing focus on open source applications such as Massive Open Online Course (MOOC). PMID:26254251

  5. Molecular forensic science of nuclear materials

    SciTech Connect

    Wilkerson, Marianne Perry

    2010-01-01

    We are interested in applying our understanding of actinide chemical structure and bonding to broaden the suite of analytical tools available for nuclear forensic analyses. Uranium- and plutonium-oxide systems form under a variety of conditions, and these chemical species exhibit some of the most complex behavior of metal oxide systems known. No less intriguing is the ability of AnO{sub 2} (An: U, Pu) to form non-stoichiometric species described as AnO{sub 2+x}. Environmental studies have shown the value of utilizing the chemical signatures of these actinide oxides materials to understand transport following release into the environment. Chemical speciation of actinide-oxide samples may also provide clues as to the age, source, process history, or transport of the material. The scientific challenge is to identify, measure and understand those aspects of speciation of actinide analytes that carry information about material origin and history most relevant to forensics. Here, we will describe our efforts in material synthesis and analytical methods development that we will use to provide the fundamental science required to characterize actinide oxide molecular structures for forensics science. Structural properties and initial results to measure structural variability of uranium oxide samples using synchrotron-based X-ray Absorption Fine Structure will be discussed.

  6. Molecular forensic science analysis of nuclear materials

    NASA Astrophysics Data System (ADS)

    Reilly, Dallas David

    Concerns over the proliferation and instances of nuclear material in the environment have increased interest in the expansion of nuclear forensics analysis and attribution programs. A new related field, molecular forensic science (MFS) has helped meet this expansion by applying common scientific analyses to nuclear forensics scenarios. In this work, MFS was applied to three scenarios related to nuclear forensics analysis. In the first, uranium dioxide was synthesized and aged at four sets of static environmental conditions and studied for changes in chemical speciation. The second highlighted the importance of bulk versus particle characterizations by analyzing a heterogeneous industrially prepared sample with similar techniques. In the third, mixed uranium/plutonium hot particles were collected from the McGuire Air Force Base BOMARC Site and analyzed for chemical speciation and elemental surface composition. This work has identified new signatures and has indicated unexpected chemical behavior under various conditions. These findings have lead to an expansion of basic actinide understanding, proof of MFS as a tool for nuclear forensic science, and new areas for expansion in these fields.

  7. Computer-Game Construction: A Gender-Neutral Attractor to Computing Science

    ERIC Educational Resources Information Center

    Carbonaro, Mike; Szafron, Duane; Cutumisu, Maria; Schaeffer, Jonathan

    2010-01-01

    Enrollment in Computing Science university programs is at a dangerously low level. A major reason for this is the general lack of interest in Computing Science by females. In this paper, we discuss our experience with using a computer game construction environment as a vehicle to encourage female participation in Computing Science. Experiments…

  8. High Performance Computing in Solid Earth Sciences

    NASA Astrophysics Data System (ADS)

    Manea, V. C.; Manea, M.; Pomeran, M.; Besutiu, L.; Zlagnean, L.

    2012-04-01

    Presently, the solid earth sciences started to move towards implementing high performance computational (HPC) research facilities. One of the key tenants of HPC is performance, and designing a HPC solution tailored to a specific research field as solid earth that represents an optimum price/performance ratio is often a challenge. The HPC system performance strongly depends on the software-hardware interaction, and therefore prior knowledge on how well specific parallelized software performs on different HPC architectures can weight significantly on choosing the final configuration. In this paper we present benchmark results from two different HPC systems: one low-end HPCC (Horus) with 300 cores and 1.6 TFlops theoretical peak performance, and one high-end HPCC (CyberDyn) with 1344 cores and 11.2 TFlops theoretical peak performance. The software benchmark used in this paper is the open source package CitcomS, which is widely used in the solid earth community (www.geodynamics.org). Testing a CFD code specific for earth sciences, the HPC system Horus based on Gigabit Ethernet performed remarkably well compared with its counterpart Cyeberdyn which is based on Infiniband QDR fabric, but only for a relatively small number of computing cores (96). However, increasing the mesh size and the number of computing cores the HPCC CyberDyn starts outperforming the HPCC Horus because of the low-latency high-speed QDR network dedicated to MPI traffic. Since presently we are moving towards high-resolution simulations for geodynamic predictions that require the same scale as observations, HPC facilities used in earth sciences should benefit from larger up-front investment in future systems that are based on high-speed interconnects.

  9. Situated Learning in Computer Science Education

    NASA Astrophysics Data System (ADS)

    Ben-Ari, Mordechai

    2004-06-01

    Sociocultural theories of learning such as Wenger and Lave's situated learning have been suggested as alternatives to cognitive theories of learning like constructivism. This article examines situated learning within the context of computer science (CS) education. Situated learning accurately describes some CS communities like open-source software development, but it is not directly applicable to other CS communities, especially those that deal with non-CS application areas. Nevertheless, situated learning can inform CS education by analyzing debates on curriculum and pedagogy within this framework. CS educators should closely examine professional CS communities of practice and design educational activities to model the actual activities of those communities.

  10. Non-Determinism: An Abstract Concept in Computer Science Studies

    ERIC Educational Resources Information Center

    Armoni, Michal; Gal-Ezer, Judith

    2007-01-01

    Non-determinism is one of the most important, yet abstract, recurring concepts of Computer Science. It plays an important role in Computer Science areas such as formal language theory, computability theory, distributed computing, and operating systems. We conducted a series of studies on the perception of non-determinism. In the current research,…

  11. Effective Computer Aided Instruction in Biomedical Science

    PubMed Central

    Hause, Lawrence L.

    1985-01-01

    A menu-driven Computer Aided Instruction (CAI) package was integrated with word processing and effectively applied in five curricula at the Medical College of Wisconsin. Integration with word processing facilitates the ease of CAI development by instructors and was found to be the most important step in the development of CAI. CAI modules were developed and are currently used to reinforce lectures in medical pathology, laboratory quality control, computer programming and basic science reviews of medicine. Modules help the lecturer efficiently cover fundamentals and provide the student with a self-directed learning alternative. A structured approach to CAI has helped build a CAI program which supports other traditional modes of instruction at MCW.

  12. Computer Instrumentation and the New Tools of Science.

    ERIC Educational Resources Information Center

    Snyder, H. David

    1990-01-01

    The impact and uses of new technologies in science teaching are discussed. Included are computers, software, sensors, integrated circuits, computer signal access, and computer interfaces. Uses and advantages of these new technologies are suggested. (CW)

  13. Workshop in computational molecular biology, April 15, 1991--April 14, 1994

    SciTech Connect

    Tavare, S.

    1995-04-12

    Funds from this award were used to the Workshop in Computational Molecular Biology, `91 Symposium entitled Interface: Computing Science and Statistics, Seattle, Washington, April 21, 1991; the Workshop in Statistical Issues in Molecular Biology held at Stanford, California, August 8, 1993; and the Session on Population Genetics a part of the 56th Annual Meeting, Institute of Mathematical Statistics, San Francisco, California, August 9, 1993.

  14. The quantum computer game: citizen science

    NASA Astrophysics Data System (ADS)

    Damgaard, Sidse; Mølmer, Klaus; Sherson, Jacob

    2013-05-01

    Progress in the field of quantum computation is hampered by daunting technical challenges. Here we present an alternative approach to solving these by enlisting the aid of computer players around the world. We have previously examined a quantum computation architecture involving ultracold atoms in optical lattices and strongly focused tweezers of light. In The Quantum Computer Game (see http://www.scienceathome.org/), we have encapsulated the time-dependent Schrödinger equation for the problem in a graphical user interface allowing for easy user input. Players can then search the parameter space with real-time graphical feedback in a game context with a global high-score that rewards short gate times and robustness to experimental errors. The game which is still in a demo version has so far been tried by several hundred players. Extensions of the approach to other models such as Gross-Pitaevskii and Bose-Hubbard are currently under development. The game has also been incorporated into science education at high-school and university level as an alternative method for teaching quantum mechanics. Initial quantitative evaluation results are very positive. AU Ideas Center for Community Driven Research, CODER.

  15. Science-Technology Coupling: The Case of Mathematical Logic and Computer Science.

    ERIC Educational Resources Information Center

    Wagner-Dobler, Roland

    1997-01-01

    In the history of science, there have often been periods of sudden rapprochements between pure science and technology-oriented branches of science. Mathematical logic as pure science and computer science as technology-oriented science have experienced such a rapprochement, which is studied in this article in a bibliometric manner. (Author)

  16. Computer Science and Telecommunications Board summary of activities

    SciTech Connect

    Blumenthal, M.S.

    1992-03-27

    The Computer Science and Telecommunications Board (CSTB) considers technical and policy issues pertaining to computer science, telecommunications, and associated technologies. CSTB actively disseminates the results of its completed projects to those in a position to help implement their recommendations or otherwise use their insights. It provides a forum for the exchange of information on computer science, computing technology, and telecommunications. This report discusses the major accomplishments of CSTB.

  17. Democratizing Computer Science Knowledge: Transforming the Face of Computer Science through Public High School Education

    ERIC Educational Resources Information Center

    Ryoo, Jean J.; Margolis, Jane; Lee, Clifford H.; Sandoval, Cueponcaxochitl D. M.; Goode, Joanna

    2013-01-01

    Despite the fact that computer science (CS) is the driver of technological innovations across all disciplines and aspects of our lives, including participatory media, high school CS too commonly fails to incorporate the perspectives and concerns of low-income students of color. This article describes a partnership program -- Exploring Computer…

  18. A research program in empirical computer science

    NASA Technical Reports Server (NTRS)

    Knight, J. C.

    1991-01-01

    During the grant reporting period our primary activities have been to begin preparation for the establishment of a research program in experimental computer science. The focus of research in this program will be safety-critical systems. Many questions that arise in the effort to improve software dependability can only be addressed empirically. For example, there is no way to predict the performance of the various proposed approaches to building fault-tolerant software. Performance models, though valuable, are parameterized and cannot be used to make quantitative predictions without experimental determination of underlying distributions. In the past, experimentation has been able to shed some light on the practical benefits and limitations of software fault tolerance. It is common, also, for experimentation to reveal new questions or new aspects of problems that were previously unknown. A good example is the Consistent Comparison Problem that was revealed by experimentation and subsequently studied in depth. The result was a clear understanding of a previously unknown problem with software fault tolerance. The purpose of a research program in empirical computer science is to perform controlled experiments in the area of real-time, embedded control systems. The goal of the various experiments will be to determine better approaches to the construction of the software for computing systems that have to be relied upon. As such it will validate research concepts from other sources, provide new research results, and facilitate the transition of research results from concepts to practical procedures that can be applied with low risk to NASA flight projects. The target of experimentation will be the production software development activities undertaken by any organization prepared to contribute to the research program. Experimental goals, procedures, data analysis and result reporting will be performed for the most part by the University of Virginia.

  19. Physical Computing and Its Scope--Towards a Constructionist Computer Science Curriculum with Physical Computing

    ERIC Educational Resources Information Center

    Przybylla, Mareen; Romeike, Ralf

    2014-01-01

    Physical computing covers the design and realization of interactive objects and installations and allows students to develop concrete, tangible products of the real world, which arise from the learners' imagination. This can be used in computer science education to provide students with interesting and motivating access to the different topic…

  20. Software agents in molecular computational biology.

    PubMed

    Keele, John W; Wray, James E

    2005-12-01

    Progress made in applying agent systems to molecular computational biology is reviewed and strategies by which to exploit agent technology to greater advantage are investigated. Communities of software agents could play an important role in helping genome scientists design reagents for future research. The advent of genome sequencing in cattle and swine increases the complexity of data analysis required to conduct research in livestock genomics. Databases are always expanding and semantic differences among data are common. Agent platforms have been developed to deal with generic issues such as agent communication, life cycle management and advertisement of services (white and yellow pages). This frees computational biologists from the drudgery of having to re-invent the wheel on these common chores, giving them more time to focus on biology and bioinformatics. Agent platforms that comply with the Foundation for Intelligent Physical Agents (FIPA) standards are able to interoperate. In other words, agents developed on different platforms can communicate and cooperate with one another if domain-specific higher-level communication protocol details are agreed upon between different agent developers. Many software agent platforms are peer-to-peer, which means that even if some of the agents and data repositories are temporarily unavailable, a subset of the goals of the system can still be met. Past use of software agents in bioinformatics indicates that an agent approach should prove fruitful. Examination of current problems in bioinformatics indicates that existing agent platforms should be adaptable to novel situations. PMID:16420735

  1. Computer Simulations in Science Education: Implications for Distance Education

    ERIC Educational Resources Information Center

    Sahin, Sami

    2006-01-01

    This paper is a review of literature about the use of computer simulations in science education. This review examines types and examples of computer simulations. The literature review indicated that although computer simulations cannot replace science classroom and laboratory activities completely, they offer various advantages both for classroom…

  2. Validating DOE's Office of Science "capability" computing needs.

    SciTech Connect

    Mattern, Peter L.; Camp, William J.; Leland, Robert W.; Barsis, Edwin Howard

    2004-07-01

    A study was undertaken to validate the 'capability' computing needs of DOE's Office of Science. More than seventy members of the community provided information about algorithmic scaling laws, so that the impact of having access to Petascale capability computers could be assessed. We have concluded that the Office of Science community has described credible needs for Petascale capability computing.

  3. Opening Doors: The Summer Institute in Computer Science.

    ERIC Educational Resources Information Center

    Sorensen, Barbara

    1999-01-01

    The Summer Institute in Computer Science (SICS) at the University of California in Irvine invites Native American community college students to spend 6 weeks studying computer science. The students live on campus and intern with a large corporation, sharpening computer skills and establishing mentoring relationships with business professionals.…

  4. 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…

  5. Identifying Factors Influencing Computer Science Aptitude and Achievement.

    ERIC Educational Resources Information Center

    Konvalina, John; And Others

    1983-01-01

    Examines the effects of high school performance, high school and university mathematics background, previous computer experience, and age on computer science aptitude and achievement as measured by a computer science aptitude test and final exam respectively. Methodology and analysis of results by stepwise regression are presented. (EAO)

  6. A Cognitive Model for Problem Solving in Computer Science

    ERIC Educational Resources Information Center

    Parham, Jennifer R.

    2009-01-01

    According to industry representatives, computer science education needs to emphasize the processes involved in solving computing problems rather than their solutions. Most of the current assessment tools used by universities and computer science departments analyze student answers to problems rather than investigating the processes involved in…

  7. Making Advanced Computer Science Topics More Accessible through Interactive Technologies

    ERIC Educational Resources Information Center

    Shao, Kun; Maher, Peter

    2012-01-01

    Purpose: Teaching advanced technical concepts in a computer science program to students of different technical backgrounds presents many challenges. The purpose of this paper is to present a detailed experimental pedagogy in teaching advanced computer science topics, such as computer networking, telecommunications and data structures using…

  8. Brains--Computers--Machines: Neural Engineering in Science Classrooms

    ERIC Educational Resources Information Center

    Chudler, Eric H.; Bergsman, Kristen Clapper

    2016-01-01

    Neural engineering is an emerging field of high relevance to students, teachers, and the general public. This feature presents online resources that educators and scientists can use to introduce students to neural engineering and to integrate core ideas from the life sciences, physical sciences, social sciences, computer science, and engineering…

  9. Learning computer science concepts with Scratch

    NASA Astrophysics Data System (ADS)

    Meerbaum-Salant, Orni; Armoni, Michal; (Moti) Ben-Ari, Mordechai

    2013-09-01

    Scratch is a visual programming environment that is widely used by young people. We investigated if Scratch can be used to teach concepts of computer science (CS). We developed learning materials for middle-school students that were designed according to the constructionist philosophy of Scratch and evaluated them in a few schools during two years. Tests were constructed based upon a novel combination of the revised Bloom taxonomy and the Structure of the Observed Learning Outcome taxonomy. These instruments were augmented with qualitative tools, such as observations and interviews. The results showed that students could successfully learn important concepts of CS, although there were problems with some concepts such as repeated execution, variables, and concurrency. We believe that these problems can be overcome by modifications to the teaching process that we suggest.

  10. Supporting large-scale computational science

    SciTech Connect

    Musick, R

    1998-10-01

    A study has been carried out to determine the feasibility of using commercial database management systems (DBMSs) to support large-scale computational science. Conventional wisdom in the past has been that DBMSs are too slow for such data. Several events over the past few years have muddied the clarity of this mindset: 1. 2. 3. 4. Several commercial DBMS systems have demonstrated storage and ad-hoc quer access to Terabyte data sets. Several large-scale science teams, such as EOSDIS [NAS91], high energy physics [MM97] and human genome [Kin93] have adopted (or make frequent use of) commercial DBMS systems as the central part of their data management scheme. Several major DBMS vendors have introduced their first object-relational products (ORDBMSs), which have the potential to support large, array-oriented data. In some cases, performance is a moot issue. This is true in particular if the performance of legacy applications is not reduced while new, albeit slow, capabilities are added to the system. The basic assessment is still that DBMSs do not scale to large computational data. However, many of the reasons have changed, and there is an expiration date attached to that prognosis. This document expands on this conclusion, identifies the advantages and disadvantages of various commercial approaches, and describes the studies carried out in exploring this area. The document is meant to be brief, technical and informative, rather than a motivational pitch. The conclusions within are very likely to become outdated within the next 5-7 years, as market forces will have a significant impact on the state of the art in scientific data management over the next decade.

  11. Computational Science Guides and Accelerates Hydrogen Research (Fact Sheet)

    SciTech Connect

    Not Available

    2010-12-01

    This fact sheet describes NREL's accomplishments in using computational science to enhance hydrogen-related research and development in areas such as storage and photobiology. Work was performed by NREL's Chemical and Materials Science Center and Biosciences Center.

  12. Computer Related Mathematics and Science Curriculum Materials - A National Science Foundation Cooperative College-School Science Program in Computing Science Education.

    ERIC Educational Resources Information Center

    Feng, Chuan C.

    Reported is the Cooperative College-School Science Program in Computing Science Education which was conducted by the University of Colorado Department of Civil Engineering in the summer of 1967. The program consisted of two five-week terms. The course work was composed of two formal lecture courses in Computer Related Mathematics and Computer…

  13. Increasing Diversity in Computer Science: Acknowledging, yet Moving Beyond, Gender

    NASA Astrophysics Data System (ADS)

    Larsen, Elizabeth A.; Stubbs, Margaret L.

    Lack of diversity within the computer science field has, thus far, been examined most fully through the lens of gender. This article is based on a follow-on to Margolis and Fisher's (2002) study and includes interviews with 33 Carnegie Mellon University students from the undergraduate senior class of 2002 in the School of Computer Science. We found evidence of similarities among the perceptions of these women and men on definitions of computer science, explanations for the notoriously low proportion of women in the field, characterizations of a typical computer science student, impressions of recent curricular changes, a sense of the atmosphere/culture in the program, views of the Women@SCS campus organization, and suggestions for attracting and retaining well-rounded students in computer science. We conclude that efforts to increase diversity in the computer science field will benefit from a more broad-based approach that considers, but is not limited to, notions of gender difference.

  14. Computational methods for optical molecular imaging

    PubMed Central

    Chen, Duan; Wei, Guo-Wei; Cong, Wen-Xiang; Wang, Ge

    2010-01-01

    Summary A new computational technique, the matched interface and boundary (MIB) method, is presented to model the photon propagation in biological tissue for the optical molecular imaging. Optical properties have significant differences in different organs of small animals, resulting in discontinuous coefficients in the diffusion equation model. Complex organ shape of small animal induces singularities of the geometric model as well. The MIB method is designed as a dimension splitting approach to decompose a multidimensional interface problem into one-dimensional ones. The methodology simplifies the topological relation near an interface and is able to handle discontinuous coefficients and complex interfaces with geometric singularities. In the present MIB method, both the interface jump condition and the photon flux jump conditions are rigorously enforced at the interface location by using only the lowest-order jump conditions. This solution near the interface is smoothly extended across the interface so that central finite difference schemes can be employed without the loss of accuracy. A wide range of numerical experiments are carried out to validate the proposed MIB method. The second-order convergence is maintained in all benchmark problems. The fourth-order convergence is also demonstrated for some three-dimensional problems. The robustness of the proposed method over the variable strength of the linear term of the diffusion equation is also examined. The performance of the present approach is compared with that of the standard finite element method. The numerical study indicates that the proposed method is a potentially efficient and robust approach for the optical molecular imaging. PMID:20485461

  15. Implementing an Affordable High-Performance Computing for Teaching-Oriented Computer Science Curriculum

    ERIC Educational Resources Information Center

    Abuzaghleh, Omar; Goldschmidt, Kathleen; Elleithy, Yasser; Lee, Jeongkyu

    2013-01-01

    With the advances in computing power, high-performance computing (HPC) platforms have had an impact on not only scientific research in advanced organizations but also computer science curriculum in the educational community. For example, multicore programming and parallel systems are highly desired courses in the computer science major. However,…

  16. Gender Differences in the Use of Computers, Programming, and Peer Interactions in Computer Science Classrooms

    ERIC Educational Resources Information Center

    Stoilescu, Dorian; Egodawatte, Gunawardena

    2010-01-01

    Research shows that female and male students in undergraduate computer science programs view computer culture differently. Female students are interested more in the use of computers than in doing programming, whereas male students see computer science mainly as a programming activity. The overall purpose of our research was not to find new…

  17. Computational Materials Science and Chemistry: Accelerating Discovery and Innovation through Simulation-Based Engineering and Science

    SciTech Connect

    Crabtree, George; Glotzer, Sharon; McCurdy, Bill; Roberto, Jim

    2010-07-26

    This report is based on a SC Workshop on Computational Materials Science and Chemistry for Innovation on July 26-27, 2010, to assess the potential of state-of-the-art computer simulations to accelerate understanding and discovery in materials science and chemistry, with a focus on potential impacts in energy technologies and innovation. The urgent demand for new energy technologies has greatly exceeded the capabilities of today's materials and chemical processes. To convert sunlight to fuel, efficiently store energy, or enable a new generation of energy production and utilization technologies requires the development of new materials and processes of unprecedented functionality and performance. New materials and processes are critical pacing elements for progress in advanced energy systems and virtually all industrial technologies. Over the past two decades, the United States has developed and deployed the world's most powerful collection of tools for the synthesis, processing, characterization, and simulation and modeling of materials and chemical systems at the nanoscale, dimensions of a few atoms to a few hundred atoms across. These tools, which include world-leading x-ray and neutron sources, nanoscale science facilities, and high-performance computers, provide an unprecedented view of the atomic-scale structure and dynamics of materials and the molecular-scale basis of chemical processes. For the first time in history, we are able to synthesize, characterize, and model materials and chemical behavior at the length scale where this behavior is controlled. This ability is transformational for the discovery process and, as a result, confers a significant competitive advantage. Perhaps the most spectacular increase in capability has been demonstrated in high performance computing. Over the past decade, computational power has increased by a factor of a million due to advances in hardware and software. This rate of improvement, which shows no sign of abating, has

  18. Molecular Sieve Bench Testing and Computer Modeling

    NASA Technical Reports Server (NTRS)

    Mohamadinejad, Habib; DaLee, Robert C.; Blackmon, James B.

    1995-01-01

    The design of an efficient four-bed molecular sieve (4BMS) CO2 removal system for the International Space Station depends on many mission parameters, such as duration, crew size, cost of power, volume, fluid interface properties, etc. A need for space vehicle CO2 removal system models capable of accurately performing extrapolated hardware predictions is inevitable due to the change of the parameters which influences the CO2 removal system capacity. The purpose is to investigate the mathematical techniques required for a model capable of accurate extrapolated performance predictions and to obtain test data required to estimate mass transfer coefficients and verify the computer model. Models have been developed to demonstrate that the finite difference technique can be successfully applied to sorbents and conditions used in spacecraft CO2 removal systems. The nonisothermal, axially dispersed, plug flow model with linear driving force for 5X sorbent and pore diffusion for silica gel are then applied to test data. A more complex model, a non-darcian model (two dimensional), has also been developed for simulation of the test data. This model takes into account the channeling effect on column breakthrough. Four FORTRAN computer programs are presented: a two-dimensional model of flow adsorption/desorption in a packed bed; a one-dimensional model of flow adsorption/desorption in a packed bed; a model of thermal vacuum desorption; and a model of a tri-sectional packed bed with two different sorbent materials. The programs are capable of simulating up to four gas constituents for each process, which can be increased with a few minor changes.

  19. Gender differences in the use of computers, programming, and peer interactions in computer science classrooms

    NASA Astrophysics Data System (ADS)

    Stoilescu, Dorian; Egodawatte, Gunawardena

    2010-12-01

    Research shows that female and male students in undergraduate computer science programs view computer culture differently. Female students are interested more in the use of computers than in doing programming, whereas male students see computer science mainly as a programming activity. The overall purpose of our research was not to find new definitions for computer science culture but to see how male and female students see themselves involved in computer science practices, how they see computer science as a successful career, and what they like and dislike about current computer science practices. The study took place in a mid-sized university in Ontario. Sixteen students and two instructors were interviewed to get their views. We found that male and female views are different on computer use, programming, and the pattern of student interactions. Female and male students did not have any major issues in using computers. In computing programming, female students were not so involved in computing activities whereas male students were heavily involved. As for the opinions about successful computer science professionals, both female and male students emphasized hard working, detailed oriented approaches, and enjoying playing with computers. The myth of the geek as a typical profile of successful computer science students was not found to be true.

  20. Defining Computational Thinking for Mathematics and Science Classrooms

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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 urgency has come to the challenge of defining computational thinking and providing a theoretical grounding for what form it should take in school science and mathematics classrooms. This paper presents a response to this challenge by proposing a definition of computational thinking for mathematics and science in the form of a taxonomy consisting of four main categories: data practices, modeling and simulation practices, computational problem solving practices, and systems thinking practices. In formulating this taxonomy, we draw on the existing computational thinking literature, interviews with mathematicians and scientists, and exemplary computational thinking instructional materials. This work was undertaken as part of a larger effort to infuse computational thinking into high school science and mathematics curricular materials. In this paper, we argue for the approach of embedding computational thinking in mathematics and science contexts, present the taxonomy, and discuss how we envision the taxonomy being used to bring current educational efforts in line with the increasingly computational nature of modern science and mathematics.

  1. Research in applied mathematics, numerical analysis, and computer science

    NASA Technical Reports Server (NTRS)

    1984-01-01

    Research conducted at the Institute for Computer Applications in Science and Engineering (ICASE) in applied mathematics, numerical analysis, and computer science is summarized and abstracts of published reports are presented. The major categories of the ICASE research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers.

  2. Computer Networks for Science Teachers. ERIC CSMEE Digest.

    ERIC Educational Resources Information Center

    Roempler, Kimberly S.; Warren, Charles R.

    Formerly reserved for use by scientists, researchers, and computer buffs, computer networks now have capabilities that make them extremely useful to science teachers and their classes. This digest is designed to provide educators with some basic background on computer communications and to provide a few examples of computer networks that are…

  3. Environmental Molecular Sciences Laboratory Annual Report: Fiscal Year 2006

    SciTech Connect

    Foster, Nancy S.; Showalter, Mary Ann

    2007-03-23

    This report describes the activities and research performed at the Environmental Molecular Sciences Laboratory, a Department of Energy national scientific user facility at Pacific Northwest National Laboratory, during Fiscal Year 2006.

  4. Pedagogy for the Connected Science Classroom: Computer Supported Collaborative Science and the Next Generation Science Standards

    ERIC Educational Resources Information Center

    Foley, Brian J.; Reveles, John M.

    2014-01-01

    The prevalence of computers in the classroom is compelling teachers to develop new instructional skills. This paper provides a theoretical perspective on an innovative pedagogical approach to science teaching that takes advantage of technology to create a connected classroom. In the connected classroom, students collaborate and share ideas in…

  5. Using a Computer Animation to Teach High School Molecular Biology

    ERIC Educational Resources Information Center

    Rotbain, Yosi; Marbach-Ad, Gili; Stavy, Ruth

    2008-01-01

    We present an active way to use a computer animation in secondary molecular genetics class. For this purpose we developed an activity booklet that helps students to work interactively with a computer animation which deals with abstract concepts and processes in molecular biology. The achievements of the experimental group were compared with those…

  6. Toward Psychoinformatics: Computer Science Meets Psychology

    PubMed Central

    Duke, Éilish; Markowetz, Alexander

    2016-01-01

    The present paper provides insight into an emerging research discipline called Psychoinformatics. In the context of Psychoinformatics, we emphasize the cooperation between the disciplines of psychology and computer science in handling large data sets derived from heavily used devices, such as smartphones or online social network sites, in order to shed light on a large number of psychological traits, including personality and mood. New challenges await psychologists in light of the resulting “Big Data” sets, because classic psychological methods will only in part be able to analyze this data derived from ubiquitous mobile devices, as well as other everyday technologies. As a consequence, psychologists must enrich their scientific methods through the inclusion of methods from informatics. The paper provides a brief review of one area of this research field, dealing mainly with social networks and smartphones. Moreover, we highlight how data derived from Psychoinformatics can be combined in a meaningful way with data from human neuroscience. We close the paper with some observations of areas for future research and problems that require consideration within this new discipline. PMID:27403204

  7. Summer 1994 Computational Science Workshop. Final report

    SciTech Connect

    1994-12-31

    This report documents the work performed by the University of New Mexico Principal Investigators and Research Assistants while hosting the highly successful Summer 1994 Computational Sciences Workshop in Albuquerque on August 6--11, 1994. Included in this report is a final budget for the workshop, along with a summary of the participants` evaluation of the workshop. The workshop proceeding have been delivered under separate cover. In order to assist in the organization of future workshops, we have also included in this report detailed documentation of the pre- and post-workshop activities associated with this contract. Specifically, we have included a section that documents the advertising performed, along with the manner in which applications were handled. A complete list of the workshop participants in this section. Sample letters that were generated while dealing with various commercial entities and departments at the University are also included in a section dealing with workshop logistics. Finally, we have included a section in this report that deals with suggestions for future workshops.

  8. Computing Whether She Belongs: Stereotypes Undermine Girls' Interest and Sense of Belonging in Computer Science

    ERIC Educational Resources Information Center

    Master, Allison; Cheryan, Sapna; Meltzoff, Andrew N.

    2016-01-01

    Computer science has one of the largest gender disparities in science, technology, engineering, and mathematics. An important reason for this disparity is that girls are less likely than boys to enroll in necessary "pipeline courses," such as introductory computer science. Two experiments investigated whether high-school girls' lower…

  9. 76 FR 20051 - Advisory Committee for Computer and Information; Science and Engineering; Notice of Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-11

    ... Advisory Committee for Computer and Information; Science and Engineering; Notice of Meeting In accordance... announces the following meeting: ] Name: Advisory Committee for Computer and Information Science and..., Directorate for Computer and Information, Science and Engineering, National Science Foundation, 4201...

  10. What Do Computer Science Students Think about Software Piracy?

    ERIC Educational Resources Information Center

    Konstantakis, Nikos I.; Palaigeorgiou, George E.; Siozos, Panos D.; Tsoukalas, Ioannis A.

    2010-01-01

    Today, software piracy is an issue of global importance. Computer science students are the future information and communication technologies professionals and it is important to study the way they approach this issue. In this article, we attempt to study attitudes, behaviours and the corresponding reasoning of computer science students in Greece…

  11. Stateless Programming as a Motif for Teaching Computer Science

    ERIC Educational Resources Information Center

    Cohen, Avi

    2004-01-01

    With the development of XML Web Services, the Internet could become an integral part of and the basis for teaching computer science and software engineering. The approach has been applied to a university course for students studying introduction to computer science from the point of view of software development in a stateless, Internet…

  12. New Pedagogies on Teaching Science with Computer Simulations

    ERIC Educational Resources Information Center

    Khan, Samia

    2011-01-01

    Teaching science with computer simulations is a complex undertaking. This case study examines how an experienced science teacher taught chemistry using computer simulations and the impact of his teaching on his students. Classroom observations over 3 semesters, teacher interviews, and student surveys were collected. The data was analyzed for (1)…

  13. Encouraging Enrollment and Retention of Women in Computer Science Classes.

    ERIC Educational Resources Information Center

    Sturm, Deborah; Moroh, Marsha

    Women computer science students at the College of Staten Island (CSI) in New York have a substantially higher pass rate than their male classmates; however, their enrollment and retention rates are low. During the last year and a half women on the computer science faculty at CSI developed two projects designed to increase the enrollment and…

  14. High School Computer Science Education: A Five-State Study.

    ERIC Educational Resources Information Center

    Stephenson, Chris

    2002-01-01

    Discusses the place of computer science education in the high school curriculum and reports on a survey of schools in five states that investigated computer science teaching responsibilities, hardware and software use, programming languages, how teachers rank instructional resources, and how teachers rank opportunities for their own skill…

  15. Assessment of Examinations in Computer Science Doctoral Education

    ERIC Educational Resources Information Center

    Straub, Jeremy

    2014-01-01

    This article surveys the examination requirements for attaining degree candidate (candidacy) status in computer science doctoral programs at all of the computer science doctoral granting institutions in the United States. It presents a framework for program examination requirement categorization, and categorizes these programs by the type or types…

  16. Gender Digital Divide and Challenges in Undergraduate Computer Science Programs

    ERIC Educational Resources Information Center

    Stoilescu, Dorian; McDougall, Douglas

    2011-01-01

    Previous research revealed a reduced number of female students registered in computer science studies. In addition, the female students feel isolated, have reduced confidence, and underperform. This article explores differences between female and male students in undergraduate computer science programs in a mid-size university in Ontario. Based on…

  17. Computer Science and the Liberal Arts: A Philosophical Examination

    ERIC Educational Resources Information Center

    Walker, Henry M.; Kelemen, Charles

    2010-01-01

    This article explores the philosophy and position of the discipline of computer science within the liberal arts, based upon a discussion of the nature of computer science and a review of the characteristics of the liberal arts. A liberal arts environment provides important opportunities for undergraduate programs, but also presents important…

  18. Faculty Perceptions of Teaching in Undergraduate Computer Science Education

    ERIC Educational Resources Information Center

    Abdelzaher, Ann M.

    2009-01-01

    The purpose of this dissertation is to examine the attitudes of computer science faculty members towards undergraduate teaching. The questions addressed in this study are: (1) How important is effective teaching to computer science faculty members at the undergraduate level and how important do they perceive effective teaching to be to their…

  19. Case Studies of Liberal Arts Computer Science Programs

    ERIC Educational Resources Information Center

    Baldwin, D.; Brady, A.; Danyluk, A.; Adams, J.; Lawrence, A.

    2010-01-01

    Many undergraduate liberal arts institutions offer computer science majors. This article illustrates how quality computer science programs can be realized in a wide variety of liberal arts settings by describing and contrasting the actual programs at five liberal arts colleges: Williams College, Kalamazoo College, the State University of New York…

  20. Collaboration, Collusion and Plagiarism in Computer Science Coursework

    ERIC Educational Resources Information Center

    Fraser, Robert

    2014-01-01

    We present an overview of the nature of academic dishonesty with respect to computer science coursework. We discuss the efficacy of various policies for collaboration with regard to student education, and we consider a number of strategies for mitigating dishonest behaviour on computer science coursework by addressing some common causes. Computer…

  1. A Model for Guiding Undergraduates to Success in Computational Science

    ERIC Educational Resources Information Center

    Olagunju, Amos O.; Fisher, Paul; Adeyeye, John

    2007-01-01

    This paper presents a model for guiding undergraduates to success in computational science. A set of integrated, interdisciplinary training and research activities is outlined for use as a vehicle to increase and produce graduates with research experiences in computational and mathematical sciences. The model is responsive to the development of…

  2. The Metamorphosis of an Introduction to Computer Science.

    ERIC Educational Resources Information Center

    Ben-Jacob, Marion G.

    1997-01-01

    Introductory courses in computer science at colleges and universities have undergone significant changes in 20 years. This article provides an overview of the history of introductory computer science (FORTRAN, ANSI flowchart symbols, BASIC, data processing concepts, and PASCAL) and its future (robotics and C++). (PEN)

  3. Predicting Computer Science Ph.D. Completion: A Case Study

    ERIC Educational Resources Information Center

    Cox, G. W.; Hughes, W. E., Jr.; Etzkorn, L. H.; Weisskopf, M. E.

    2009-01-01

    This paper presents the results of an analysis of indicators that can be used to predict whether a student will succeed in a Computer Science Ph.D. program. The analysis was conducted by studying the records of 75 students who have been in the Computer Science Ph.D. program of the University of Alabama in Huntsville. Seventy-seven variables were…

  4. Starting Computer Science Using C++ with Objects: A Workable Approach.

    ERIC Educational Resources Information Center

    Connolly, Mary V.

    Saint Mary's College (Indiana) offers a minor program in computer science. The program's introductory computer science class traditionally taught Pascal. The decision to change the introductory programming language to C++ with an object oriented approach was made when it became clear that there were good texts available for beginning students.…

  5. Studies in Mathematics, Volume 22. Studies in Computer Science.

    ERIC Educational Resources Information Center

    Pollack, Seymour V., Ed.

    The nine articles in this collection were selected because they represent concerns central to computer science, emphasize topics of particular interest to mathematicians, and underscore the wide range of areas deeply and continually affected by computer science. The contents consist of: "Introduction" (S. V. Pollack), "The Development of Computer…

  6. "Computer Science Can Feed a Lot of Dreams"

    ERIC Educational Resources Information Center

    Educational Horizons, 2014

    2014-01-01

    Pat Yongpradit is the director of education at Code.org. He leads all education efforts, including professional development and curriculum creation, and he builds relationships with school districts. Pat joined "Educational Horizons" to talk about why it is important to teach computer science--even for non-computer science teachers. This…

  7. Arguing for Computer Science in the School Curriculum

    ERIC Educational Resources Information Center

    Fluck, Andrew; Webb, Mary; Cox, Margaret; Angeli, Charoula; Malyn-Smith, Joyce; Voogt, Joke; Zagami, Jason

    2016-01-01

    Computer science has been a discipline for some years, and its position in the school curriculum has been contested differently in several countries. This paper looks at its role in three countries to illustrate these differences. A reconsideration of computer science as a separate subject both in primary and secondary education is suggested. At…

  8. A survey of computer science capstone course literature

    NASA Astrophysics Data System (ADS)

    Dugan, Robert F., Jr.

    2011-09-01

    In this article, we surveyed literature related to undergraduate computer science capstone courses. The survey was organized around course and project issues. Course issues included: course models, learning theories, course goals, course topics, student evaluation, and course evaluation. Project issues included: software process models, software process phases, project type, documentation, tools, groups, and instructor administration. We reflected on these issues and thecomputer science capstone course we have taught for seven years. The survey summarized, organized, and synthesized the literature to provide a referenced resource for computer science instructors and researchers interested in computer science capstone courses.

  9. Learning Science through Computer Games and Simulations

    ERIC Educational Resources Information Center

    Honey, Margaret A., Ed.; Hilton, Margaret, Ed.

    2011-01-01

    At a time when scientific and technological competence is vital to the nation's future, the weak performance of U.S. students in science reflects the uneven quality of current science education. Although young children come to school with innate curiosity and intuitive ideas about the world around them, science classes rarely tap this potential.…

  10. Marine molecular biology: an emerging field of biological sciences.

    PubMed

    Thakur, Narsinh L; Jain, Roopesh; Natalio, Filipe; Hamer, Bojan; Thakur, Archana N; Müller, Werner E G

    2008-01-01

    An appreciation of the potential applications of molecular biology is of growing importance in many areas of life sciences, including marine biology. During the past two decades, the development of sophisticated molecular technologies and instruments for biomedical research has resulted in significant advances in the biological sciences. However, the value of molecular techniques for addressing problems in marine biology has only recently begun to be cherished. It has been proven that the exploitation of molecular biological techniques will allow difficult research questions about marine organisms and ocean processes to be addressed. Marine molecular biology is a discipline, which strives to define and solve the problems regarding the sustainable exploration of marine life for human health and welfare, through the cooperation between scientists working in marine biology, molecular biology, microbiology and chemistry disciplines. Several success stories of the applications of molecular techniques in the field of marine biology are guiding further research in this area. In this review different molecular techniques are discussed, which have application in marine microbiology, marine invertebrate biology, marine ecology, marine natural products, material sciences, fisheries, conservation and bio-invasion etc. In summary, if marine biologists and molecular biologists continue to work towards strong partnership during the next decade and recognize intellectual and technological advantages and benefits of such partnership, an exciting new frontier of marine molecular biology will emerge in the future. PMID:18299181

  11. Seeking Solution: High-Performance Computing for Science. Background Paper.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. Office of Technology Assessment.

    This is the second publication from the Office of Technology Assessment's assessment on information technology and research, which was requested by the House Committee on Science and Technology and the Senate Committee on Commerce, Science, and Transportation. The first background paper, "High Performance Computing & Networking for Science,"…

  12. A Computer-Based Instrument That Identifies Common Science Misconceptions

    ERIC Educational Resources Information Center

    Larrabee, Timothy G.; Stein, Mary; Barman, Charles

    2006-01-01

    This article describes the rationale for and development of a computer-based instrument that helps identify commonly held science misconceptions. The instrument, known as the Science Beliefs Test, is a 47-item instrument that targets topics in chemistry, physics, biology, earth science, and astronomy. The use of an online data collection system…

  13. Computer Use and Science Achievement: Linking Science Standards and the Assessments. Monograph Series.

    ERIC Educational Resources Information Center

    Miller-Whitehead, Marie

    This study examined state and national benchmarks and standards for K-12 science instruction, curricular goals, and objectives for K-12 science, state, and national assessments that measure student achievement in science and student use of computers and technology for science in grades K-12. The study used survey data and student achievement…

  14. The cell as the smallest DNA-based molecular computer.

    PubMed

    Ji, S

    1999-10-01

    The pioneering work of Adleman (1994) demonstrated that DNA molecules in test tubes can be manipulated to perform a certain type of mathematical computation. This has stimulated a theoretical interest in the possibility of constructing DNA-based molecular computers. To gauge the practicality of realizing such microscopic computers, it was thought necessary to learn as much as possible from the biology of the living cell--presently the only known DNA-based molecular computer in existence. Here the recently developed theoretical model of the living cell (the Bhopalator) and its associated theories (e.g. cell language), principles, laws and concepts (e.g. conformons, IDS's) are briefly reviewed and summarized in the form of a set of five laws of 'molecular semiotics' (synonyms include 'microsemiotics', 'cellular semiotics', or 'cytosemiotics') the study of signs mediating measurement, computation, and communication on the cellular and molecular levels. Hopefully, these laws will find practical applications in designing DNA-based computing systems. PMID:10636037

  15. Fundamental Approaches in Molecular Biology for Communication Sciences and Disorders

    ERIC Educational Resources Information Center

    Bartlett, Rebecca S.; Jette, Marie E.; King, Suzanne N.; Schaser, Allison; Thibeault, Susan L.

    2012-01-01

    Purpose: This contemporary tutorial will introduce general principles of molecular biology, common deoxyribonucleic acid (DNA), ribonucleic acid (RNA), and protein assays and their relevance in the field of communication sciences and disorders. Method: Over the past 2 decades, knowledge of the molecular pathophysiology of human disease has…

  16. Computer Attitude, Ownership and Use as Predictors of Computer Literacy of Science Teachers in Nigeria

    ERIC Educational Resources Information Center

    Ogunkola, Babalola J.

    2008-01-01

    This study investigated the effect of computer attitude, ownership and use on the computer literacy of science teachers in Nigeria. One hundred and twenty (120) science teachers drawn from the four political divisions of Ogun State, Nigeria were used for the study. Two valid and reliable instruments namely Computer Attitude, Ownership and Use…

  17. Methodical Approaches to Teaching of Computer Modeling in Computer Science Course

    ERIC Educational Resources Information Center

    Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina

    2015-01-01

    The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…

  18. A Computer Learning Center for Environmental Sciences

    NASA Technical Reports Server (NTRS)

    Mustard, John F.

    2000-01-01

    In the fall of 1998, MacMillan Hall opened at Brown University to students. In MacMillan Hall was the new Computer Learning Center, since named the EarthLab which was outfitted with high-end workstations and peripherals primarily focused on the use of remotely sensed and other spatial data in the environmental sciences. The NASA grant we received as part of the "Centers of Excellence in Applications of Remote Sensing to Regional and Global Integrated Environmental Assessments" was the primary source of funds to outfit this learning and research center. Since opening, we have expanded the range of learning and research opportunities and integrated a cross-campus network of disciplines who have come together to learn and use spatial data of all kinds. The EarthLab also forms a core of undergraduate, graduate, and faculty research on environmental problems that draw upon the unique perspective of remotely sensed data. Over the last two years, the Earthlab has been a center for research on the environmental impact of water resource use in and regions, impact of the green revolution on forest cover in India, the design of forest preserves in Vietnam, and detailed assessments of the utility of thermal and hyperspectral data for water quality analysis. It has also been used extensively for local environmental activities, in particular studies on the impact of lead on the health of urban children in Rhode Island. Finally, the EarthLab has also served as a key educational and analysis center for activities related to the Brown University Affiliated Research Center that is devoted to transferring university research to the private sector.

  19. Nanoarchitectonics of Molecular Aggregates: Science and Technology

    SciTech Connect

    Ramanathan, Nathan Muruganathan; Hong, Kunlun; Ji, Dr. Qingmin; Hill, Dr. Jonathan P; Ariga, Katsuhiko; Yusuke, Yonamine

    2014-01-01

    The field of making, studying and using molecular aggregates, in which the individual molecules (monomers) are arranged in a regular fashion, has come a long way. Taking control over the aggregation of small molecules and polymers in bulk, on surfaces and at interfaces pose a considerable challenge for their utilization in modern high tech applications. In this review we provide a detailed insight into recent trends in molecular aggregates from the perspectives of nanoarchitectonics.

  20. Final technical report for DOE Computational Nanoscience Project: Integrated Multiscale Modeling of Molecular Computing Devices

    SciTech Connect

    Cummings, P. T.

    2010-02-08

    This document reports the outcomes of the Computational Nanoscience Project, "Integrated Multiscale Modeling of Molecular Computing Devices". It includes a list of participants and publications arising from the research supported.

  1. An Introduction to Computer Science (Secondary Grades). Volume 2.

    ERIC Educational Resources Information Center

    New York City Board of Education, Brooklyn, NY.

    The second volume of a two-volume computer science curriculum guide, reflecting the technology of the 1980s, presents 66 lessons on advanced computer literacy topics for high school students. Topics include advanced programing concepts in BASIC, spreadsheet management, telecommunications, writing a computer-assisted-instruction program, computers…

  2. Computer Science and Technology Publications. NBS Publications List 84.

    ERIC Educational Resources Information Center

    National Bureau of Standards (DOC), Washington, DC. Inst. for Computer Sciences and Technology.

    This bibliography lists publications of the Institute for Computer Sciences and Technology of the National Bureau of Standards. Publications are listed by subject in the areas of computer security, computer networking, and automation technology. Sections list publications of: (1) current Federal Information Processing Standards; (2) computer…

  3. Fertile Zones of Cultural Encounter in Computer Science Education

    ERIC Educational Resources Information Center

    Kolikant, Yifat Ben-David; Ben-Ari, Mordechai

    2008-01-01

    We explain certain learning difficulties in computer science education as resulting from a clash between the students' culture as computer users and the professional computing culture. We propose the concept of fertile zones of cultural encounter as a way of overcoming these learning difficulties. This pedagogical approach aims to bridge the gap…

  4. The Learning Effects of Computer Simulations in Science Education

    ERIC Educational Resources Information Center

    Rutten, Nico; van Joolingen, Wouter R.; van der Veen, Jan T.

    2012-01-01

    This article reviews the (quasi)experimental research of the past decade on the learning effects of computer simulations in science education. The focus is on two questions: how use of computer simulations can enhance traditional education, and how computer simulations are best used in order to improve learning processes and outcomes. We report on…

  5. Computer modeling of properties of complex molecular systems

    SciTech Connect

    Kulkova, E.Yu.; Khrenova, M.G.; Polyakov, I.V.

    2015-03-10

    Large molecular aggregates present important examples of strongly nonhomogeneous systems. We apply combined quantum mechanics / molecular mechanics approaches that assume treatment of a part of the system by quantum-based methods and the rest of the system with conventional force fields. Herein we illustrate these computational approaches by two different examples: (1) large-scale molecular systems mimicking natural photosynthetic centers, and (2) components of prospective solar cells containing titan dioxide and organic dye molecules. We demonstrate that modern computational tools are capable to predict structures and spectra of such complex molecular aggregates.

  6. Fundamental approaches in molecular biology for communication sciences and disorders

    PubMed Central

    Bartlett, Rebecca; Jetté, Marie E; King, Suzanne N.; Schaser, Allison; Thibeault, Susan L.

    2012-01-01

    Purpose This contemporary tutorial will introduce general principles of molecular biology, common DNA, RNA and protein assays and their relevance in the field of communication sciences and disorders (CSD). Methods Over the past two decades, knowledge of the molecular pathophysiology of human disease has increased at a remarkable pace. Most of this progress can be attributed to concomitant advances in basic molecular biology and, specifically, the development of an ever-expanding armamentarium of technologies for analysis of DNA, RNA and protein structure and function. Details of these methodologies, their limitations and examples from the CSD literature are presented. Results/Conclusions The use of molecular biology techniques in the fields of speech, language and hearing sciences is increasing, facilitating the need for an understanding of molecular biology fundamentals and common experimental assays. PMID:22232415

  7. Tool or Science? The History of Computing at the Norwegian University of Science and Technology

    NASA Astrophysics Data System (ADS)

    Nordal, Ola

    One may characterize the history of computing at the Norwegian University of Science and Technology by a tension between the computer as a tool in other disciplines and computer science as discipline in itself. This tension has been latent since the pioneering period of the 1950s until today. This paper shows how this have been expressed in the early attempts to take up computing at the University, and how it gave the Division of Computer Science a fairly rough start when it opened in 1972.

  8. Computer Science: A Historical Perspective and a Current Assessment

    NASA Astrophysics Data System (ADS)

    Wirth, Niklaus

    We begin with a brief review of the early years of Computer Science. This period was dominated by large, remote computers and the struggle to master the complex problems of programming. The remedy was found in programming languages providing suitable abstractions and programming models. Outstanding was the language Algol 60, designed by an international committee, and intended as a publication language for algorithms. The early period ends with the advent of the microcomputer in the mid 1970s, bringing computing into homes and schools. The outstanding computer was the Alto, the first personal computer with substantial computing power. It changed the world of computing.

  9. Molecular genetics at the Fort Collins Science Center

    USGS Publications Warehouse

    Oyler-McCance, S.J.; Stevens, P.D.

    2011-01-01

    The Fort Collins Science Center operates a molecular genetic and systematics research facility (FORT Molecular Ecology Laboratory) that uses molecular genetic tools to provide genetic information needed to inform natural resource management decisions. For many wildlife species, the data generated have become increasingly important in the development of their long-term management strategies, leading to a better understanding of species diversity, population dynamics and ecology, and future conservation and management needs. The Molecular Ecology Lab serves Federal research and resource management agencies by developing scientifically rigorous research programs using nuclear, mitochondrial and chloroplast DNA to help address many of today's conservation biology and natural resource management issues.

  10. Assessment of examinations in computer science doctoral education

    NASA Astrophysics Data System (ADS)

    Straub, Jeremy

    2014-01-01

    This article surveys the examination requirements for attaining degree candidate (candidacy) status in computer science doctoral programs at all of the computer science doctoral granting institutions in the United States. It presents a framework for program examination requirement categorization, and categorizes these programs by the type or types of candidacy examinations that are required. The performance of computer science departments, estimated via two common surrogate metrics, in these different categories of candidacy requirements are compared and contrasted and the correlation between candidacy requirements and program/department performance is assessed.

  11. Committee on Atomic, Molecular, and Optical Sciences (CAMOS)

    SciTech Connect

    Not Available

    1992-01-01

    The Committee on Atomic, Molecular, and Optical Sciences is a standing committee under the auspices of the Board on Physics and Astronomy, Commission on Physical Sciences, Mathematics, and Applications of the National Academy of Sciences -- National Research Council. The atomic, molecular, and optical (AMO) sciences represent a broad and diverse field in which much of the research is carried out by small groups. These groups generally have not operated in concert with each other and, prior to the establishment of CAMOS, there was no single committee or organization that accepted the responsibility of monitoring the continuing development and assessing the general public health of the field as a whole. CAMOS has accepted this responsibility and currently provides a focus for the AMO community that is unique and essential. The membership of CAMOS is drawn from research laboratories in universities, industry, and government. Areas of expertise on the committee include atomic physics, molecular science, and optics. A special effort has been made to include a balanced representation from the three subfields. (A roster is attached.) CAMOS has conducted a number of studies related to the health of atomic and molecular science and is well prepared to response to requests for studies on specific issues. This report brief reviews the committee work of progress.

  12. Hispanic women overcoming deterrents to computer science: A phenomenological study

    NASA Astrophysics Data System (ADS)

    Herling, Lourdes

    The products of computer science are important to all aspects of society and are tools in the solution of the world's problems. It is, therefore, troubling that the United States faces a shortage in qualified graduates in computer science. The number of women and minorities in computer science is significantly lower than the percentage of the U.S. population which they represent. The overall enrollment in computer science programs has continued to decline with the enrollment of women declining at a higher rate than that of men. This study addressed three aspects of underrepresentation about which there has been little previous research: addressing computing disciplines specifically rather than embedding them within the STEM disciplines, what attracts women and minorities to computer science, and addressing the issues of race/ethnicity and gender in conjunction rather than in isolation. Since women of underrepresented ethnicities are more severely underrepresented than women in general, it is important to consider whether race and ethnicity play a role in addition to gender as has been suggested by previous research. Therefore, this study examined what attracted Hispanic women to computer science specifically. The study determines whether being subjected to multiple marginalizations---female and Hispanic---played a role in the experiences of Hispanic women currently in computer science. The study found five emergent themes within the experiences of Hispanic women in computer science. Encouragement and role models strongly influenced not only the participants' choice to major in the field, but to persist as well. Most of the participants experienced a negative atmosphere and feelings of not fitting in while in college and industry. The interdisciplinary nature of computer science was the most common aspect that attracted the participants to computer science. The aptitudes participants commonly believed are needed for success in computer science are the Twenty

  13. Fractal Explorations in Secondary Mathematics, Science, and Computer Science.

    ERIC Educational Resources Information Center

    Egnatoff, William J.

    1991-01-01

    Fractal geometry is introduced through examples of computational exploration of coastlines, self-similar curves, random walks, and population growth. These explorations, which include the construction of algorithms and the subsequent development and application of simple computer programs, lend themselves to self-directed study and advanced…

  14. Science-Driven Computing: NERSC's Plan for 2006-2010

    SciTech Connect

    Simon, Horst D.; Kramer, William T.C.; Bailey, David H.; Banda,Michael J.; Bethel, E. Wes; Craw, James M.; Fortney, William J.; Hules,John A.; Meyer, Nancy L.; Meza, Juan C.; Ng, Esmond G.; Rippe, Lynn E.; Saphir, William C.; Verdier, Francesca; Walter, Howard A.; Yelick,Katherine A.

    2005-05-16

    NERSC has developed a five-year strategic plan focusing on three components: Science-Driven Systems, Science-Driven Services, and Science-Driven Analytics. (1) Science-Driven Systems: Balanced introduction of the best new technologies for complete computational systems--computing, storage, networking, visualization and analysis--coupled with the activities necessary to engage vendors in addressing the DOE computational science requirements in their future roadmaps. (2) Science-Driven Services: The entire range of support activities, from high-quality operations and user services to direct scientific support, that enable a broad range of scientists to effectively use NERSC systems in their research. NERSC will concentrate on resources needed to realize the promise of the new highly scalable architectures for scientific discovery in multidisciplinary computational science projects. (3) Science-Driven Analytics: The architectural and systems enhancements and services required to integrate NERSC's powerful computational and storage resources to provide scientists with new tools to effectively manipulate, visualize, and analyze the huge data sets derived from simulations and experiments.

  15. A Computer Security Course in the Undergraduate Computer Science Curriculum.

    ERIC Educational Resources Information Center

    Spillman, Richard

    1992-01-01

    Discusses the importance of computer security and considers criminal, national security, and personal privacy threats posed by security breakdown. Several examples are given, including incidents involving computer viruses. Objectives, content, instructional strategies, resources, and a sample examination for an experimental undergraduate computer…

  16. On applying molecular computation to the data encryption standard.

    PubMed

    Adleman, L M; Rothemund, P W; Roweis, S; Winfree, E

    1999-01-01

    Recently, Boneh, Dunworth, and Lipton (1996) described the potential use of molecular computation in attacking the United States Data Encryption Standard (DES). Here, we provide a description of such an attack using the sticker model of molecular computation. Our analysis suggests that such an attack might be mounted on a tabletop machine using approximately a gram of DNA and might succeed even in the presence of a large number of errors. PMID:10223664

  17. Computers and Traditional Teaching Practices: Factors Influencing Middle Level Students' Science Achievement and Attitudes about Science

    ERIC Educational Resources Information Center

    Odom, Arthur Louis; Marszalek, Jacob M.; Stoddard, Elizabeth R.; Wrobel, Jerzy M.

    2011-01-01

    The purpose of this study was to examine the association of middle school student science achievement and attitudes toward science with student-reported frequency of using computers to learn science and other classroom practices. Baseline comparison data were collected on the frequency of student-centred teaching practices (e.g. the use of group…

  18. A Computer Assisted Learning Project in Engineering Science

    ERIC Educational Resources Information Center

    Cheesewright, R.; And Others

    1974-01-01

    A British project in engineering science is described. Computer assisted instruction packages are being developed to provide students with experience with models or systems of models related to lecture material on electrical, electronic, nuclear, and mechanical engineering. (SD)

  19. Teaching the Methodology of Computational Science at Caltech

    NASA Astrophysics Data System (ADS)

    Djorgovski, S. G.

    2014-12-01

    I will describe some of our experiences in designing and teaching a graduate level curriculum on the methodologies of computational science at Caltech, and offer some opinions on the subject in a broader context of the transformation of the academia.

  20. Proceedings: Computer Science and Data Systems Technical Symposium, volume 1

    NASA Technical Reports Server (NTRS)

    Larsen, Ronald L.; Wallgren, Kenneth

    1985-01-01

    Progress reports and technical updates of programs being performed by NASA centers are covered. Presentations in viewgraph form are included for topics in three categories: computer science, data systems and space station applications.

  1. Proceedings: Computer Science and Data Systems Technical Symposium, volume 2

    NASA Technical Reports Server (NTRS)

    Larsen, Ronald L.; Wallgren, Kenneth

    1985-01-01

    Progress reports and technical updates of programs being performed by NASA centers are covered. Presentations in viewgraph form, along with abstracts, are included for topics in three catagories: computer science, data systems, and space station applications.

  2. Molecular Modeling and Computational Chemistry at Humboldt State University.

    ERIC Educational Resources Information Center

    Paselk, Richard A.; Zoellner, Robert W.

    2002-01-01

    Describes a molecular modeling and computational chemistry (MM&CC) facility for undergraduate instruction and research at Humboldt State University. This facility complex allows the introduction of MM&CC throughout the chemistry curriculum with tailored experiments in general, organic, and inorganic courses as well as a new molecular modeling…

  3. The Science of Computing: Virtual Memory

    NASA Technical Reports Server (NTRS)

    Denning, Peter J.

    1986-01-01

    In the March-April issue, I described how a computer's storage system is organized as a hierarchy consisting of cache, main memory, and secondary memory (e.g., disk). The cache and main memory form a subsystem that functions like main memory but attains speeds approaching cache. What happens if a program and its data are too large for the main memory? This is not a frivolous question. Every generation of computer users has been frustrated by insufficient memory. A new line of computers may have sufficient storage for the computations of its predecessor, but new programs will soon exhaust its capacity. In 1960, a longrange planning committee at MIT dared to dream of a computer with 1 million words of main memory. In 1985, the Cray-2 was delivered with 256 million words. Computational physicists dream of computers with 1 billion words. Computer architects have done an outstanding job of enlarging main memories yet they have never kept up with demand. Only the shortsighted believe they can.

  4. 75 FR 19428 - Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-14

    ... Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting In accordance... announces the following meeting: Name: Advisory Committee for Computer and Information Science and... Cassandra Queen at the Directorate for Computer and Information Science and Engineering at...

  5. 76 FR 61118 - Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-03

    ... FOUNDATION Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting In... Foundation announces the following meeting: Name: Advisory Committee for Computer and Information Science and.... Contact Person: Carmen Whitson, Directorate for Computer and Information Science and Engineering,...

  6. 77 FR 24538 - Advisory Committee for Computer and Information Science And Engineering; Notice of Meeting

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-24

    ... FOUNDATION Advisory Committee for Computer and Information Science And Engineering; Notice of Meeting In... Foundation announces the following meeting: Name: Advisory Committee for Computer and Information Science and...: Carmen Whitson, Directorate for Computer and Information Science and Engineering, National...

  7. Non-parallel processing: Gendered attrition in academic computer science

    NASA Astrophysics Data System (ADS)

    Cohoon, Joanne Louise Mcgrath

    2000-10-01

    This dissertation addresses the issue of disproportionate female attrition from computer science as an instance of gender segregation in higher education. By adopting a theoretical framework from organizational sociology, it demonstrates that the characteristics and processes of computer science departments strongly influence female retention. The empirical data identifies conditions under which women are retained in the computer science major at comparable rates to men. The research for this dissertation began with interviews of students, faculty, and chairpersons from five computer science departments. These exploratory interviews led to a survey of faculty and chairpersons at computer science and biology departments in Virginia. The data from these surveys are used in comparisons of the computer science and biology disciplines, and for statistical analyses that identify which departmental characteristics promote equal attrition for male and female undergraduates in computer science. This three-pronged methodological approach of interviews, discipline comparisons, and statistical analyses shows that departmental variation in gendered attrition rates can be explained largely by access to opportunity, relative numbers, and other characteristics of the learning environment. Using these concepts, this research identifies nine factors that affect the differential attrition of women from CS departments. These factors are: (1) The gender composition of enrolled students and faculty; (2) Faculty turnover; (3) Institutional support for the department; (4) Preferential attitudes toward female students; (5) Mentoring and supervising by faculty; (6) The local job market, starting salaries, and competitiveness of graduates; (7) Emphasis on teaching; and (8) Joint efforts for student success. This work contributes to our understanding of the gender segregation process in higher education. In addition, it contributes information that can lead to effective solutions for an

  8. Computational Science Applications in Manufacturing (CSAM) workshop evaluation report

    SciTech Connect

    Bradford, J.; Dixon, L.; Rutherford, W.

    1994-09-01

    The Computational Science Applications in Manufacturing (CSAM) workshop is a program designed to expose and train high school students in the techniques used in computational science as they pertain to manufacturing. This effort was sponsored by the AlliedSignal Inc., Kansas City Division (KCD) in cooperation with the Department of Energy (DOE) and their initiative to support education with respect to the advances in technology.

  9. Fiction as an Introduction to Computer Science Research

    ERIC Educational Resources Information Center

    Goldsmith, Judy; Mattei, Nicholas

    2014-01-01

    The undergraduate computer science curriculum is generally focused on skills and tools; most students are not exposed to much research in the field, and do not learn how to navigate the research literature. We describe how fiction reviews (and specifically science fiction) are used as a gateway to research reviews. Students learn a little about…

  10. Science Computer Software. A Handbook on Selection and Classroom Use.

    ERIC Educational Resources Information Center

    Good, Ron

    Designed for use by science teachers, this document provides selected lists of computer software collected by the Science and Mathematics Software (SAMS) lab at Florida State University. The commercially available software is compiled under the subject areas of biology, chemistry, and physics. Each list provides: (1) recommended grade level; (2)…