Computational chemistry in pharmaceutical research: at the crossroads.

PubMed

Bajorath, Jürgen

2012-01-01

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

Scientific Visualization, Seeing the Unseeable

ScienceCinema

LBNL

2017-12-09

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

78 FR 41046 - Advanced Scientific Computing Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-09

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

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

NASA Astrophysics Data System (ADS)

Kellogg, L. H.

2016-12-01

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

Computational Science: A Research Methodology for the 21st Century

NASA Astrophysics Data System (ADS)

Orbach, Raymond L.

2004-03-01

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

Highly parallel computation

NASA Technical Reports Server (NTRS)

Denning, Peter J.; Tichy, Walter F.

1990-01-01

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

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

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

Baker, Randal Scott

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

ISCR Annual Report: Fical Year 2004

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

McGraw, J R

2005-03-03

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

ISCR FY2005 Annual Report

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

Keyes, D E; McGraw, J R

2006-02-02

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

A Numerical Method for Computing the Transonic Fan Duct Flow over a Centerbody into an Exterior Free Stream - Program Tea-343,

DTIC Science & Technology

1974-09-24

Transonic Flows with Imbedded Shock Waves", Boeing Scientific Research Laboratories Document D1-82-1053 (1971); also as invited lecture series for AGARD...Past Thin Lifting Airfoils", Boeing Scientific Research Laboratories Document D180-2298-1, June 1971. 5. Krupp, J. A. and Ia-man, 9. M., "Computation...Aerodynamics and Marine Sciences Laboratory, Boeing Scientific Research Laboratories, June 1971. 7. Krupp, J. A., "Documentation for Program TSONIC", Technical

The Petascale Data Storage Institute

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

Gibson, Garth; Long, Darrell; Honeyman, Peter

2013-07-01

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

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

DTIC Science & Technology

1983-05-06

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

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

NASA Astrophysics Data System (ADS)

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

2014-06-01

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

Scientific Computing Paradigm

NASA Technical Reports Server (NTRS)

VanZandt, John

1994-01-01

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

78 FR 6087 - Advanced Scientific Computing Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-29

... INFORMATION CONTACT: Melea Baker, Office of Advanced Scientific Computing Research; SC-21/Germantown Building... Theory and Experiment (INCITE) Public Comment (10-minute rule) Public Participation: The meeting is open...

Key Lessons in Building "Data Commons": The Open Science Data Cloud Ecosystem

NASA Astrophysics Data System (ADS)

Patterson, M.; Grossman, R.; Heath, A.; Murphy, M.; Wells, W.

2015-12-01

Cloud computing technology has created a shift around data and data analysis by allowing researchers to push computation to data as opposed to having to pull data to an individual researcher's computer. Subsequently, cloud-based resources can provide unique opportunities to capture computing environments used both to access raw data in its original form and also to create analysis products which may be the source of data for tables and figures presented in research publications. Since 2008, the Open Cloud Consortium (OCC) has operated the Open Science Data Cloud (OSDC), which provides scientific researchers with computational resources for storing, sharing, and analyzing large (terabyte and petabyte-scale) scientific datasets. OSDC has provided compute and storage services to over 750 researchers in a wide variety of data intensive disciplines. Recently, internal users have logged about 2 million core hours each month. The OSDC also serves the research community by colocating these resources with access to nearly a petabyte of public scientific datasets in a variety of fields also accessible for download externally by the public. In our experience operating these resources, researchers are well served by "data commons," meaning cyberinfrastructure that colocates data archives, computing, and storage infrastructure and supports essential tools and services for working with scientific data. In addition to the OSDC public data commons, the OCC operates a data commons in collaboration with NASA and is developing a data commons for NOAA datasets. As cloud-based infrastructures for distributing and computing over data become more pervasive, we ask, "What does it mean to publish data in a data commons?" Here we present the OSDC perspective and discuss several services that are key in architecting data commons, including digital identifier services.

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

PubMed

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

2013-01-28

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

New project to support scientific collaboration electronically

NASA Astrophysics Data System (ADS)

Clauer, C. R.; Rasmussen, C. E.; Niciejewski, R. J.; Killeen, T. L.; Kelly, J. D.; Zambre, Y.; Rosenberg, T. J.; Stauning, P.; Friis-Christensen, E.; Mende, S. B.; Weymouth, T. E.; Prakash, A.; McDaniel, S. E.; Olson, G. M.; Finholt, T. A.; Atkins, D. E.

A new multidisciplinary effort is linking research in the upper atmospheric and space, computer, and behavioral sciences to develop a prototype electronic environment for conducting team science worldwide. A real-world electronic collaboration testbed has been established to support scientific work centered around the experimental operations being conducted with instruments from the Sondrestrom Upper Atmospheric Research Facility in Kangerlussuaq, Greenland. Such group computing environments will become an important component of the National Information Infrastructure initiative, which is envisioned as the high-performance communications infrastructure to support national scientific research.

America COMPETES Act and the FY2010 Budget

DTIC Science & Technology

2009-06-29

Outstanding Junior Investigator, Fusion Energy Sciences Plasma Physics Junior Faculty Development; Advanced Scientific Computing Research Early Career...the Fusion Energy Sciences Graduate Fellowships.2 If members of Congress agree with this contention, these America COMPETES Act programs were...Physics Outstanding Junior Investigator, Fusion Energy Sciences Plasma Physics Junior Faculty Development; Advanced Scientific Computing Research Early

Hypergraph-Based Combinatorial Optimization of Matrix-Vector Multiplication

ERIC Educational Resources Information Center

Wolf, Michael Maclean

2009-01-01

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

The Versatile Terminal.

ERIC Educational Resources Information Center

Evans, C. D.

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

Institute for scientific computing research;fiscal year 1999 annual report

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

Keyes, D

2000-03-28

Large-scale scientific computation, and all of the disciplines that support it and help to validate it, have been placed at the focus of Lawrence Livermore National Laboratory by the Accelerated Strategic Computing Initiative (ASCI). The Laboratory operates the computer with the highest peak performance in the world and has undertaken some of the largest and most compute-intensive simulations ever performed. Computers at the architectural extremes, however, are notoriously difficult to use efficiently. Even such successes as the Laboratory's two Bell Prizes awarded in November 1999 only emphasize the need for much better ways of interacting with the results of large-scalemore » simulations. Advances in scientific computing research have, therefore, never been more vital to the core missions of the Laboratory than at present. Computational science is evolving so rapidly along every one of its research fronts that to remain on the leading edge, the Laboratory must engage researchers at many academic centers of excellence. In FY 1999, the Institute for Scientific Computing Research (ISCR) has expanded the Laboratory's bridge to the academic community in the form of collaborative subcontracts, visiting faculty, student internships, a workshop, and a very active seminar series. ISCR research participants are integrated almost seamlessly with the Laboratory's Center for Applied Scientific Computing (CASC), which, in turn, addresses computational challenges arising throughout the Laboratory. Administratively, the ISCR flourishes under the Laboratory's University Relations Program (URP). Together with the other four Institutes of the URP, it must navigate a course that allows the Laboratory to benefit from academic exchanges while preserving national security. Although FY 1999 brought more than its share of challenges to the operation of an academic-like research enterprise within the context of a national security laboratory, the results declare the challenges well met and well worth the continued effort. A change of administration for the ISCR occurred during FY 1999. Acting Director John Fitzgerald retired from LLNL in August after 35 years of service, including the last two at helm of the ISCR. David Keyes, who has been a regular visitor in conjunction with ASCI scalable algorithms research since October 1997, overlapped with John for three months and serves half-time as the new Acting Director.« less

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

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

Geveci, Berk; Maynard, Robert

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

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

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

Kostadin, Damevski

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

USRA/RIACS

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1992-01-01

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on June 6, 1983. RIACS is privately operated by USRA, a consortium of universities with research programs in the aerospace sciences, under a cooperative agreement with NASA. The primary mission of RIACS is to provide research and expertise in computer science and scientific computing to support the scientific missions of NASA ARC. The research carried out at RIACS must change its emphasis from year to year in response to NASA ARC's changing needs and technological opportunities. A flexible scientific staff is provided through a university faculty visitor program, a post doctoral program, and a student visitor program. Not only does this provide appropriate expertise but it also introduces scientists outside of NASA to NASA problems. A small group of core RIACS staff provides continuity and interacts with an ARC technical monitor and scientific advisory group to determine the RIACS mission. RIACS activities are reviewed and monitored by a USRA advisory council and ARC technical monitor. Research at RIACS is currently being done in the following areas: (1) parallel computing; (2) advanced methods for scientific computing; (3) learning systems; (4) high performance networks and technology; and (5) graphics, visualization, and virtual environments. In the past year, parallel compiler techniques and adaptive numerical methods for flows in complicated geometries were identified as important problems to investigate for ARC's involvement in the Computational Grand Challenges of the next decade. We concluded a summer student visitors program during this six months. We had six visiting graduate students that worked on projects over the summer and presented seminars on their work at the conclusion of their visits. RIACS technical reports are usually preprints of manuscripts that have been submitted to research journals or conference proceedings. A list of these reports for the period July 1, 1992 through December 31, 1992 is provided.

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

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

Gerber, Richard; Hack, James; Riley, Katherine

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

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

ERIC Educational Resources Information Center

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

2009-01-01

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

EUROPLANET-RI modelling service for the planetary science community: European Modelling and Data Analysis Facility (EMDAF)

NASA Astrophysics Data System (ADS)

Khodachenko, Maxim; Miller, Steven; Stoeckler, Robert; Topf, Florian

2010-05-01

Computational modeling and observational data analysis are two major aspects of the modern scientific research. Both appear nowadays under extensive development and application. Many of the scientific goals of planetary space missions require robust models of planetary objects and environments as well as efficient data analysis algorithms, to predict conditions for mission planning and to interpret the experimental data. Europe has great strength in these areas, but it is insufficiently coordinated; individual groups, models, techniques and algorithms need to be coupled and integrated. Existing level of scientific cooperation and the technical capabilities for operative communication, allow considerable progress in the development of a distributed international Research Infrastructure (RI) which is based on the existing in Europe computational modelling and data analysis centers, providing the scientific community with dedicated services in the fields of their computational and data analysis expertise. These services will appear as a product of the collaborative communication and joint research efforts of the numerical and data analysis experts together with planetary scientists. The major goal of the EUROPLANET-RI / EMDAF is to make computational models and data analysis algorithms associated with particular national RIs and teams, as well as their outputs, more readily available to their potential user community and more tailored to scientific user requirements, without compromising front-line specialized research on model and data analysis algorithms development and software implementation. This objective will be met through four keys subdivisions/tasks of EMAF: 1) an Interactive Catalogue of Planetary Models; 2) a Distributed Planetary Modelling Laboratory; 3) a Distributed Data Analysis Laboratory, and 4) enabling Models and Routines for High Performance Computing Grids. Using the advantages of the coordinated operation and efficient communication between the involved computational modelling, research and data analysis expert teams and their related research infrastructures, EMDAF will provide a 1) flexible, 2) scientific user oriented, 3) continuously developing and fast upgrading computational and data analysis service to support and intensify the European planetary scientific research. At the beginning EMDAF will create a set of demonstrators and operational tests of this service in key areas of European planetary science. This work will aim at the following objectives: (a) Development and implementation of tools for distant interactive communication between the planetary scientists and computing experts (including related RIs); (b) Development of standard routine packages, and user-friendly interfaces for operation of the existing numerical codes and data analysis algorithms by the specialized planetary scientists; (c) Development of a prototype of numerical modelling services "on demand" for space missions and planetary researchers; (d) Development of a prototype of data analysis services "on demand" for space missions and planetary researchers; (e) Development of a prototype of coordinated interconnected simulations of planetary phenomena and objects (global multi-model simulators); (f) Providing the demonstrators of a coordinated use of high performance computing facilities (super-computer networks), done in cooperation with European HPC Grid DEISA.

Evolution of the Virtualized HPC Infrastructure of Novosibirsk Scientific Center

NASA Astrophysics Data System (ADS)

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

2012-12-01

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

Enabling a Scientific Cloud Marketplace: VGL (Invited)

NASA Astrophysics Data System (ADS)

Fraser, R.; Woodcock, R.; Wyborn, L. A.; Vote, J.; Rankine, T.; Cox, S. J.

2013-12-01

The Virtual Geophysics Laboratory (VGL) provides a flexible, web based environment where researchers can browse data and use a variety of scientific software packaged into tool kits that run in the Cloud. Both data and tool kits are published by multiple researchers and registered with the VGL infrastructure forming a data and application marketplace. The VGL provides the basic work flow of Discovery and Access to the disparate data sources and a Library for tool kits and scripting to drive the scientific codes. Computation is then performed on the Research or Commercial Clouds. Provenance information is collected throughout the work flow and can be published alongside the results allowing for experiment comparison and sharing with other researchers. VGL's "mix and match" approach to data, computational resources and scientific codes, enables a dynamic approach to scientific collaboration. VGL allows scientists to publish their specific contribution, be it data, code, compute or work flow, knowing the VGL framework will provide other components needed for a complete application. Other scientists can choose the pieces that suit them best to assemble an experiment. The coarse grain workflow of the VGL framework combined with the flexibility of the scripting library and computational toolkits allows for significant customisation and sharing amongst the community. The VGL utilises the cloud computational and storage resources from the Australian academic research cloud provided by the NeCTAR initiative and a large variety of data accessible from national and state agencies via the Spatial Information Services Stack (SISS - http://siss.auscope.org). VGL v1.2 screenshot - http://vgl.auscope.org

Advanced Artificial Science. The development of an artificial science and engineering research infrastructure to facilitate innovative computational modeling, analysis, and application to interdisciplinary areas of scientific investigation.

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

Saffer, Shelley

2014-12-01

This is a final report of the DOE award DE-SC0001132, Advanced Artificial Science. The development of an artificial science and engineering research infrastructure to facilitate innovative computational modeling, analysis, and application to interdisciplinary areas of scientific investigation. This document describes the achievements of the goals, and resulting research made possible by this award.

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

ERIC Educational Resources Information Center

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

2012-01-01

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

Applications of artificial intelligence to scientific research

NASA Technical Reports Server (NTRS)

Prince, Mary Ellen

1986-01-01

Artificial intelligence (AI) is a growing field which is just beginning to make an impact on disciplines other than computer science. While a number of military and commercial applications were undertaken in recent years, few attempts were made to apply AI techniques to basic scientific research. There is no inherent reason for the discrepancy. The characteristics of the problem, rather than its domain, determines whether or not it is suitable for an AI approach. Expert system, intelligent tutoring systems, and learning programs are examples of theoretical topics which can be applied to certain areas of scientific research. Further research and experimentation should eventurally make it possible for computers to act as intelligent assistants to scientists.

Accelerating scientific discovery : 2007 annual report.

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

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

2008-11-14

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

Introduction to the LaRC central scientific computing complex

NASA Technical Reports Server (NTRS)

Shoosmith, John N.

1993-01-01

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

Analysis of Scientific Attitude, Computer Anxiety, Educational Internet Use, Problematic Internet Use, and Academic Achievement of Middle School Students According to Demographic Variables

ERIC Educational Resources Information Center

Bekmezci, Mehmet; Celik, Ismail; Sahin, Ismail; Kiray, Ahmet; Akturk, Ahmet Oguz

2015-01-01

In this research, students' scientific attitude, computer anxiety, educational use of the Internet, academic achievement, and problematic use of the Internet are analyzed based on different variables (gender, parents' educational level and daily access to the Internet). The research group involves 361 students from two middle schools which are…

A View of the Science Education Research Literature: Scientific Discovery Learning with Computer Simulations.

ERIC Educational Resources Information Center

Robinson, William R.

2000-01-01

Describes a review of research that addresses the effectiveness of simulations in promoting scientific discovery learning and the problems that learners may encounter when using discovery learning. (WRM)

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

PubMed Central

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

2014-01-01

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

The Magellan Final Report on Cloud Computing

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

,; Coghlan, Susan; Yelick, Katherine

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

Argonne Research Library | Argonne National Laboratory

Science.gov Websites

Publications Researchers Postdocs Exascale Computing Institute for Molecular Engineering at Argonne Work with Scientific Publications Researchers Postdocs Exascale Computing Institute for Molecular Engineering at IMEInstitute for Molecular Engineering JCESRJoint Center for Energy Storage Research MCSGMidwest Center for

[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.

Architectural Aspects of Grid Computing and its Global Prospects for E-Science Community

NASA Astrophysics Data System (ADS)

Ahmad, Mushtaq

2008-05-01

The paper reviews the imminent Architectural Aspects of Grid Computing for e-Science community for scientific research and business/commercial collaboration beyond physical boundaries. Grid Computing provides all the needed facilities; hardware, software, communication interfaces, high speed internet, safe authentication and secure environment for collaboration of research projects around the globe. It provides highly fast compute engine for those scientific and engineering research projects and business/commercial applications which are heavily compute intensive and/or require humongous amounts of data. It also makes possible the use of very advanced methodologies, simulation models, expert systems and treasure of knowledge available around the globe under the umbrella of knowledge sharing. Thus it makes possible one of the dreams of global village for the benefit of e-Science community across the globe.

Build It: Will They Come?

NASA Astrophysics Data System (ADS)

Corrie, Brian; Zimmerman, Todd

Scientific research is fundamentally collaborative in nature, and many of today's complex scientific problems require domain expertise in a wide range of disciplines. In order to create research groups that can effectively explore such problems, research collaborations are often formed that involve colleagues at many institutions, sometimes spanning a country and often spanning the world. An increasingly common manifestation of such a collaboration is the collaboratory (Bos et al., 2007), a “…center without walls in which the nation's researchers can perform research without regard to geographical location — interacting with colleagues, accessing instrumentation, sharing data and computational resources, and accessing information from digital libraries.” In order to bring groups together on such a scale, a wide range of components need to be available to researchers, including distributed computer systems, remote instrumentation, data storage, collaboration tools, and the financial and human resources to operate and run such a system (National Research Council, 1993). Media Spaces, as both a technology and a social facilitator, have the potential to meet many of these needs. In this chapter, we focus on the use of scientific media spaces (SMS) as a tool for supporting collaboration in scientific research. In particular, we discuss the design, deployment, and use of a set of SMS environments deployed by WestGrid and one of its collaborating organizations, the Centre for Interdisciplinary Research in the Mathematical and Computational Sciences (IRMACS) over a 5-year period.

Cultural and Technological Issues and Solutions for Geodynamics Software Citation

NASA Astrophysics Data System (ADS)

Heien, E. M.; Hwang, L.; Fish, A. E.; Smith, M.; Dumit, J.; Kellogg, L. H.

2014-12-01

Computational software and custom-written codes play a key role in scientific research and teaching, providing tools to perform data analysis and forward modeling through numerical computation. However, development of these codes is often hampered by the fact that there is no well-defined way for the authors to receive credit or professional recognition for their work through the standard methods of scientific publication and subsequent citation of the work. This in turn may discourage researchers from publishing their codes or making them easier for other scientists to use. We investigate the issues involved in citing software in a scientific context, and introduce features that should be components of a citation infrastructure, particularly oriented towards the codes and scientific culture in the area of geodynamics research. The codes used in geodynamics are primarily specialized numerical modeling codes for continuum mechanics problems; they may be developed by individual researchers, teams of researchers, geophysicists in collaboration with computational scientists and applied mathematicians, or by coordinated community efforts such as the Computational Infrastructure for Geodynamics. Some but not all geodynamics codes are open-source. These characteristics are common to many areas of geophysical software development and use. We provide background on the problem of software citation and discuss some of the barriers preventing adoption of such citations, including social/cultural barriers, insufficient technological support infrastructure, and an overall lack of agreement about what a software citation should consist of. We suggest solutions in an initial effort to create a system to support citation of software and promotion of scientific software development.

The need for scientific software engineering in the pharmaceutical industry

NASA Astrophysics Data System (ADS)

Luty, Brock; Rose, Peter W.

2017-03-01

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

The need for scientific software engineering in the pharmaceutical industry.

PubMed

Luty, Brock; Rose, Peter W

2017-03-01

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

Games as a Platform for Student Participation in Authentic Scientific Research

ERIC Educational Resources Information Center

Magnussen, Rikke; Hansen, Sidse Damgaard; Planke, Tilo; Sherson, Jacob Friis

2014-01-01

This paper presents results from the design and testing of an educational version of Quantum Moves, a Scientific Discovery Game that allows players to help solve authentic scientific challenges in the effort to develop a quantum computer. The primary aim of developing a game-based platform for student-research collaboration is to investigate if…

Ontology-Driven Discovery of Scientific Computational Entities

ERIC Educational Resources Information Center

Brazier, Pearl W.

2010-01-01

Many geoscientists use modern computational resources, such as software applications, Web services, scientific workflows and datasets that are readily available on the Internet, to support their research and many common tasks. These resources are often shared via human contact and sometimes stored in data portals; however, they are not necessarily…

Ames Research Center publications: A continuing bibliography, 1980

NASA Technical Reports Server (NTRS)

1981-01-01

This bibliography lists formal NASA publications, journal articles, books, chapters of books, patents, contractor reports, and computer programs that were issued by Ames Research Center and indexed by Scientific and Technical Aerospace Reports, Limited Scientific and Technical Aerospace Reports, International Aerospace Abstracts, and Computer Program Abstracts in 1980. Citations are arranged by directorate, type of publication, and NASA accession numbers. Subject, personal author, corporate source, contract number, and report/accession number indexes are provided.

Argonne's Magellan Cloud Computing Research Project

ScienceCinema

Beckman, Pete

2017-12-11

Pete Beckman, head of Argonne's Leadership Computing Facility (ALCF), discusses the Department of Energy's new $32-million Magellan project, which designed to test how cloud computing can be used for scientific research. More information: http://www.anl.gov/Media_Center/News/2009/news091014a.html

Argonne's Magellan Cloud Computing Research Project

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

Beckman, Pete

Pete Beckman, head of Argonne's Leadership Computing Facility (ALCF), discusses the Department of Energy's new $32-million Magellan project, which designed to test how cloud computing can be used for scientific research. More information: http://www.anl.gov/Media_Center/News/2009/news091014a.html

[Earth and Space Sciences Project Services for NASA HPCC

NASA Technical Reports Server (NTRS)

Merkey, Phillip

2002-01-01

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

Idea Paper: The Lifecycle of Software for Scientific Simulations

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

Dubey, Anshu; McInnes, Lois C.

The software lifecycle is a well researched topic that has produced many models to meet the needs of different types of software projects. However, one class of projects, software development for scientific computing, has received relatively little attention from lifecycle researchers. In particular, software for end-to-end computations for obtaining scientific results has received few lifecycle proposals and no formalization of a development model. An examination of development approaches employed by the teams implementing large multicomponent codes reveals a great deal of similarity in their strategies. This idea paper formalizes these related approaches into a lifecycle model for end-to-end scientific applicationmore » software, featuring loose coupling between submodels for development of infrastructure and scientific capability. We also invite input from stakeholders to converge on a model that captures the complexity of this development processes and provides needed lifecycle guidance to the scientific software community.« less

37 CFR 6.1 - International schedule of classes of goods and services.

Code of Federal Regulations, 2012 CFR

2012-07-01

...; entertainment; sporting and cultural activities. 42. Scientific and technological services and research and design relating thereto; industrial analysis and research services; design and development of computer...-operated); cutlery; side arms; razors. 9. Scientific, nautical, surveying, photographic, cinematographic...

37 CFR 6.1 - International schedule of classes of goods and services.

Code of Federal Regulations, 2014 CFR

2014-07-01

...; entertainment; sporting and cultural activities. 42. Scientific and technological services and research and design relating thereto; industrial analysis and research services; design and development of computer...); cutlery; side arms; razors. 9. Scientific, nautical, surveying, photographic, cinematographic, optical...

37 CFR 6.1 - International schedule of classes of goods and services.

Code of Federal Regulations, 2013 CFR

2013-07-01

...; entertainment; sporting and cultural activities. 42. Scientific and technological services and research and design relating thereto; industrial analysis and research services; design and development of computer...); cutlery; side arms; razors. 9. Scientific, nautical, surveying, photographic, cinematographic, optical...

Computer Science Research Funding: How Much Is Too Little?

DTIC Science & Technology

2009-06-01

Bioinformatics Parallel computing Computational biology Principles of programming Computational neuroscience Real-time and embedded systems Scientific...National Security Agency ( NSA ) • Missile Defense Agency (MDA) and others The various research programs have been coordinated through the DDR&E...DOD funding included only DARPA and OSD programs. FY07 and FY08 PBR funding included DARPA, NSA , some of the Services’ basic and applied research

Ames Research Center Publications: A Continuing Bibliography

NASA Technical Reports Server (NTRS)

1981-01-01

The Ames Research Center Publications: A Continuing Bibliography contains the research output of the Center indexed during 1981 in Scientific and Technical Aerospace Reports (STAR), Limited Scientific and Technical Aerospace Reports (LSTAR), International Aerospace Abstracts (IAA), and Computer Program Abstracts (CPA). This bibliography is published annually in an attempt to effect greater awareness and distribution of the Center's research output.

A Study of the Relationship of Communication Technology Configurations in Virtual Research Environments and Effectiveness of Collaborative Research

ERIC Educational Resources Information Center

Ahmed, Iftekhar

2009-01-01

Virtual Research Environments (VRE) are electronic meeting places for interaction among scientists created by combining software tools and computer networking. Virtual teams are enjoying increased importance in the conduct of scientific research because of the rising cost of traditional scientific scholarly communication, the growing importance of…

Switching from Computer to Microcomputer Architecture Education

ERIC Educational Resources Information Center

Bolanakis, Dimosthenis E.; Kotsis, Konstantinos T.; Laopoulos, Theodore

2010-01-01

In the last decades, the technological and scientific evolution of the computing discipline has been widely affecting research in software engineering education, which nowadays advocates more enlightened and liberal ideas. This article reviews cross-disciplinary research on a computer architecture class in consideration of its switching to…

Computer networks for remote laboratories in physics and engineering

NASA Technical Reports Server (NTRS)

Starks, Scott; Elizandro, David; Leiner, Barry M.; Wiskerchen, Michael

1988-01-01

This paper addresses a relatively new approach to scientific research, telescience, which is the conduct of scientific operations in locations remote from the site of central experimental activity. A testbed based on the concepts of telescience is being developed to ultimately enable scientific researchers on earth to conduct experiments onboard the Space Station. This system along with background materials are discussed.

Educational NASA Computational and Scientific Studies (enCOMPASS)

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess

2013-01-01

Educational NASA Computational and Scientific Studies (enCOMPASS) is an educational project of NASA Goddard Space Flight Center aimed at bridging the gap between computational objectives and needs of NASA's scientific research, missions, and projects, and academia's latest advances in applied mathematics and computer science. enCOMPASS achieves this goal via bidirectional collaboration and communication between NASA and academia. Using developed NASA Computational Case Studies in university computer science/engineering and applied mathematics classes is a way of addressing NASA's goals of contributing to the Science, Technology, Education, and Math (STEM) National Objective. The enCOMPASS Web site at http://encompass.gsfc.nasa.gov provides additional information. There are currently nine enCOMPASS case studies developed in areas of earth sciences, planetary sciences, and astrophysics. Some of these case studies have been published in AIP and IEEE's Computing in Science and Engineering magazines. A few university professors have used enCOMPASS case studies in their computational classes and contributed their findings to NASA scientists. In these case studies, after introducing the science area, the specific problem, and related NASA missions, students are first asked to solve a known problem using NASA data and past approaches used and often published in a scientific/research paper. Then, after learning about the NASA application and related computational tools and approaches for solving the proposed problem, students are given a harder problem as a challenge for them to research and develop solutions for. This project provides a model for NASA scientists and engineers on one side, and university students, faculty, and researchers in computer science and applied mathematics on the other side, to learn from each other's areas of work, computational needs and solutions, and the latest advances in research and development. This innovation takes NASA science and engineering applications to computer science and applied mathematics university classes, and makes NASA objectives part of the university curricula. There is great potential for growth and return on investment of this program to the point where every major university in the U.S. would use at least one of these case studies in one of their computational courses, and where every NASA scientist and engineer facing a computational challenge (without having resources or expertise to solve it) would use enCOMPASS to formulate the problem as a case study, provide it to a university, and get back their solutions and ideas.

PREFACE: 16th International workshop on Advanced Computing and Analysis Techniques in physics research (ACAT2014)

NASA Astrophysics Data System (ADS)

Fiala, L.; Lokajicek, M.; Tumova, N.

2015-05-01

This volume of the IOP Conference Series is dedicated to scientific contributions presented at the 16th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2014), this year the motto was ''bridging disciplines''. The conference took place on September 1-5, 2014, at the Faculty of Civil Engineering, Czech Technical University in Prague, Czech Republic. The 16th edition of ACAT explored the boundaries of computing system architectures, data analysis algorithmics, automatic calculations, and theoretical calculation technologies. It provided a forum for confronting and exchanging ideas among these fields, where new approaches in computing technologies for scientific research were explored and promoted. This year's edition of the workshop brought together over 140 participants from all over the world. The workshop's 16 invited speakers presented key topics on advanced computing and analysis techniques in physics. During the workshop, 60 talks and 40 posters were presented in three tracks: Computing Technology for Physics Research, Data Analysis - Algorithms and Tools, and Computations in Theoretical Physics: Techniques and Methods. The round table enabled discussions on expanding software, knowledge sharing and scientific collaboration in the respective areas. ACAT 2014 was generously sponsored by Western Digital, Brookhaven National Laboratory, Hewlett Packard, DataDirect Networks, M Computers, Bright Computing, Huawei and PDV-Systemhaus. Special appreciations go to the track liaisons Lorenzo Moneta, Axel Naumann and Grigory Rubtsov for their work on the scientific program and the publication preparation. ACAT's IACC would also like to express its gratitude to all referees for their work on making sure the contributions are published in the proceedings. Our thanks extend to the conference liaisons Andrei Kataev and Jerome Lauret who worked with the local contacts and made this conference possible as well as to the program coordinator Federico Carminati and the conference chair Denis Perret-Gallix for their global supervision. Further information on ACAT 2014 can be found at http://www.particle.cz/acat2014

Research Projects, Technical Reports and Publications

NASA Technical Reports Server (NTRS)

Oliger, Joseph

1996-01-01

The Research Institute for Advanced Computer Science (RIACS) was established by the Universities Space Research Association (USRA) at the NASA Ames Research Center (ARC) on June 6, 1983. RIACS is privately operated by USRA, a consortium of universities with research programs in the aerospace sciences, under contract with NASA. The primary mission of RIACS is to provide research and expertise in computer science and scientific computing to support the scientific missions of NASA ARC. The research carried out at RIACS must change its emphasis from year to year in response to NASA ARC's changing needs and technological opportunities. A flexible scientific staff is provided through a university faculty visitor program, a post doctoral program, and a student visitor program. Not only does this provide appropriate expertise but it also introduces scientists outside of NASA to NASA problems. A small group of core RIACS staff provides continuity and interacts with an ARC technical monitor and scientific advisory group to determine the RIACS mission. RIACS activities are reviewed and monitored by a USRA advisory council and ARC technical monitor. Research at RIACS is currently being done in the following areas: Advanced Methods for Scientific Computing High Performance Networks During this report pefiod Professor Antony Jameson of Princeton University, Professor Wei-Pai Tang of the University of Waterloo, Professor Marsha Berger of New York University, Professor Tony Chan of UCLA, Associate Professor David Zingg of University of Toronto, Canada and Assistant Professor Andrew Sohn of New Jersey Institute of Technology have been visiting RIACS. January 1, 1996 through September 30, 1996 RIACS had three staff scientists, four visiting scientists, one post-doctoral scientist, three consultants, two research associates and one research assistant. RIACS held a joint workshop with Code 1 29-30 July 1996. The workshop was held to discuss needs and opportunities in basic research in computer science in and for NASA applications. There were 14 talks given by NASA, industry and university scientists and three open discussion sessions. There were approximately fifty participants. A proceedings is being prepared. It is planned to have similar workshops on an annual basis. RIACS technical reports are usually preprints of manuscripts that have been submitted to research 'ournals or conference proceedings. A list of these reports for the period January i 1, 1996 through September 30, 1996 is in the Reports and Abstracts section of this report.

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.

Reproducible research in vadose zone sciences

USDA-ARS?s Scientific Manuscript database

A significant portion of present-day soil and Earth science research is computational, involving complex data analysis pipelines, advanced mathematical and statistical models, and sophisticated computer codes. Opportunities for scientific progress are greatly diminished if reproducing and building o...

NCI Workshop Report: Clinical and Computational Requirements for Correlating Imaging Phenotypes with Genomics Signatures.

PubMed

Colen, Rivka; Foster, Ian; Gatenby, Robert; Giger, Mary Ellen; Gillies, Robert; Gutman, David; Heller, Matthew; Jain, Rajan; Madabhushi, Anant; Madhavan, Subha; Napel, Sandy; Rao, Arvind; Saltz, Joel; Tatum, James; Verhaak, Roeland; Whitman, Gary

2014-10-01

The National Cancer Institute (NCI) Cancer Imaging Program organized two related workshops on June 26-27, 2013, entitled "Correlating Imaging Phenotypes with Genomics Signatures Research" and "Scalable Computational Resources as Required for Imaging-Genomics Decision Support Systems." The first workshop focused on clinical and scientific requirements, exploring our knowledge of phenotypic characteristics of cancer biological properties to determine whether the field is sufficiently advanced to correlate with imaging phenotypes that underpin genomics and clinical outcomes, and exploring new scientific methods to extract phenotypic features from medical images and relate them to genomics analyses. The second workshop focused on computational methods that explore informatics and computational requirements to extract phenotypic features from medical images and relate them to genomics analyses and improve the accessibility and speed of dissemination of existing NIH resources. These workshops linked clinical and scientific requirements of currently known phenotypic and genotypic cancer biology characteristics with imaging phenotypes that underpin genomics and clinical outcomes. The group generated a set of recommendations to NCI leadership and the research community that encourage and support development of the emerging radiogenomics research field to address short-and longer-term goals in cancer research.

First 3 years of operation of RIACS (Research Institute for Advanced Computer Science) (1983-1985)

NASA Technical Reports Server (NTRS)

Denning, P. J.

1986-01-01

The focus of the Research Institute for Advanced Computer Science (RIACS) is to explore matches between advanced computing architectures and the processes of scientific research. An architecture evaluation of the MIT static dataflow machine, specification of a graphical language for expressing distributed computations, and specification of an expert system for aiding in grid generation for two-dimensional flow problems was initiated. Research projects for 1984 and 1985 are summarized.

Parallelization and Visual Analysis of Multidimensional Fields: Application to Ozone Production, Destruction, and Transport in Three Dimensions

NASA Technical Reports Server (NTRS)

Schwan, Karsten

1997-01-01

This final report has four sections. We first describe the actual scientific results attained by our research team, followed by a description of the high performance computing research enhancing those results and prompted by the scientific tasks being undertaken. Next, we describe our research in data and program visualization motivated by the scientific research and also enabling it. Last, we comment on the indirect effects this research effort has had on our work, in terms of follow up or additional funding, student training, etc.

Data base development and research and editorial support

NASA Technical Reports Server (NTRS)

1988-01-01

The Life Sciences Bibliographic Data Base was created in 1981 and subsequently expanded. A systematic, professional system was developed to collect, organize, and disseminate information about scientific publications resulting from research. The data base consists of bibliographic information and hard copies of all research papers published by Life Sciences-supported investigators. Technical improvements were instituted in the database. To minimize costs, take advantage of advances in personal computer technology, and achieve maximum flexibility and control, the data base was transferred from the JSC computer to personal computers at George Washington University (GWU). GWU also performed a range of related activities such as conducting in-depth searches on a variety of subjects, retrieving scientific literature, preparing presentations, summarizing research progress, answering correspondence requiring reference support, and providing writing and editorial support.

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

PubMed Central

Jurica, Peter; van Leeuwen, Cees

2008-01-01

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

Scientific and technical information output of the Langley Research Center

NASA Technical Reports Server (NTRS)

1984-01-01

Scientific and technical information that the Langley Research Center produced during the calendar year 1983 is compiled. Included are citations for Formal Reports, Quick-Release Technical Memorandums, Contractor Reports, Journal Articles and other Publications, Meeting Presentations, Technical Talks, Computer Programs, Tech Briefs, and Patents.

The Effects of Computer-Supported Inquiry-Based Learning Methods and Peer Interaction on Learning Stellar Parallax

ERIC Educational Resources Information Center

Ruzhitskaya, Lanika

2011-01-01

The presented research study investigated the effects of computer-supported inquiry-based learning and peer interaction methods on effectiveness of learning a scientific concept. The stellar parallax concept was selected as a basic, and yet important in astronomy, scientific construct, which is based on a straightforward relationship of several…

The Goal Specificity Effect on Strategy Use and Instructional Efficiency during Computer-Based Scientific Discovery Learning

ERIC Educational Resources Information Center

Kunsting, Josef; Wirth, Joachim; Paas, Fred

2011-01-01

Using a computer-based scientific discovery learning environment on buoyancy in fluids we investigated the "effects of goal specificity" (nonspecific goals vs. specific goals) for two goal types (problem solving goals vs. learning goals) on "strategy use" and "instructional efficiency". Our empirical findings close an important research gap,…

Instrumentation for Scientific Computing in Neural Networks, Information Science, Artificial Intelligence, and Applied Mathematics.

DTIC Science & Technology

1987-10-01

include Security Classification) Instrumentation for scientific computing in neural networks, information science, artificial intelligence, and...instrumentation grant to purchase equipment for support of research in neural networks, information science, artificail intellignece , and applied mathematics...in Neural Networks, Information Science, Artificial Intelligence, and Applied Mathematics Contract AFOSR 86-0282 Principal Investigator: Stephen

Scientific and technical information output of the Langley Research Center for calendar year 1980

NASA Technical Reports Server (NTRS)

1981-01-01

This document is a compilation of the scientific and technical information that the Langley Research Center has produced during the calendar year 1980. Approximately 1400 citations are given. Formal reports, quick-release technical memorandums, contractor reports, journal articles, meeting/conference papers, computer programs, tech briefs, patents, and unpublished research are included.

Science | Argonne National Laboratory

Science.gov Websites

Publications Researchers Postdocs Exascale Computing Institute for Molecular Engineering at Argonne Work with Scientific Publications Researchers Postdocs Exascale Computing Institute for Molecular Engineering at understand, predict, and ultimately control matter and energy at the electronic, atomic, and molecular levels

Extreme-Scale Computing Project Aims to Advance Precision Oncology | Frederick National Laboratory for Cancer Research

Cancer.gov

Two government agencies and five national laboratories are collaborating to develop extremely high-performance computing capabilities that will analyze mountains of research and clinical data to improve scientific understanding of cancer, predict dru

Critical Field Experiments on Uses of Scientific and Technical Information.

ERIC Educational Resources Information Center

Rubenstein, Albert H.; And Others

Research in the field of "information-seeking behavior of scientists and engineers" has been done on the behavior and preferences of researchers with respect to technical literature, computer-based information systems, and other scientific and technical information (STI) systems and services. The objectives of this project are: (1) to…

Scientific Discovery through Advanced Computing in Plasma Science

NASA Astrophysics Data System (ADS)

Tang, William

2005-03-01

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

Large Scale Computing and Storage Requirements for High Energy Physics

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

Gerber, Richard A.; Wasserman, Harvey

2010-11-24

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

A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design

PubMed Central

Alford, Rebecca F.; Dolan, Erin L.

2017-01-01

Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology. PMID:29216185

A cyber-linked undergraduate research experience in computational biomolecular structure prediction and design.

PubMed

Alford, Rebecca F; Leaver-Fay, Andrew; Gonzales, Lynda; Dolan, Erin L; Gray, Jeffrey J

2017-12-01

Computational biology is an interdisciplinary field, and many computational biology research projects involve distributed teams of scientists. To accomplish their work, these teams must overcome both disciplinary and geographic barriers. Introducing new training paradigms is one way to facilitate research progress in computational biology. Here, we describe a new undergraduate program in biomolecular structure prediction and design in which students conduct research at labs located at geographically-distributed institutions while remaining connected through an online community. This 10-week summer program begins with one week of training on computational biology methods development, transitions to eight weeks of research, and culminates in one week at the Rosetta annual conference. To date, two cohorts of students have participated, tackling research topics including vaccine design, enzyme design, protein-based materials, glycoprotein modeling, crowd-sourced science, RNA processing, hydrogen bond networks, and amyloid formation. Students in the program report outcomes comparable to students who participate in similar in-person programs. These outcomes include the development of a sense of community and increases in their scientific self-efficacy, scientific identity, and science values, all predictors of continuing in a science research career. Furthermore, the program attracted students from diverse backgrounds, which demonstrates the potential of this approach to broaden the participation of young scientists from backgrounds traditionally underrepresented in computational biology.

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

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

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

1997-04-01

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

French Plans for Fifth Generation Computer Systems.

DTIC Science & Technology

1984-12-07

centrally man- French industry In electronics, compu- aged project in France that covers all ters, software, and services and to make the facets of the...Centre National of Japan’s Fifth Generation Project , the de Recherche Scientifique (CNRS) Cooper- French scientific and industrial com- ative Research...systems, man-computer The National Projects interaction, novel computer structures, The French Ministry of Research and knowledge-based computer systems

2009 ALCF annual report.

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

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

2010-11-23

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

Facilitating Preschoolers' Scientific Knowledge Construction via Computer Games Regarding Light and Shadow: The Effect of the Prediction-Observation-Explanation (POE) Strategy

ERIC Educational Resources Information Center

Hsu, Chung-Yuan; Tsai, Chin-Chung; Liang, Jyh-Chong

2011-01-01

Educational researchers have suggested that computer games have a profound influence on students' motivation, knowledge construction, and learning performance, but little empirical research has targeted preschoolers. Thus, the purpose of the present study was to investigate the effects of implementing a computer game that integrates the…

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

NASA Astrophysics Data System (ADS)

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

2015-10-01

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

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

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

Houston, Johnny L; Geter, Kerry

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

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

PubMed

Jurica, Peter; van Leeuwen, Cees

2009-01-01

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

Technologies for Large Data Management in Scientific Computing

NASA Astrophysics Data System (ADS)

Pace, Alberto

2014-01-01

In recent years, intense usage of computing has been the main strategy of investigations in several scientific research projects. The progress in computing technology has opened unprecedented opportunities for systematic collection of experimental data and the associated analysis that were considered impossible only few years ago. This paper focuses on the strategies in use: it reviews the various components that are necessary for an effective solution that ensures the storage, the long term preservation, and the worldwide distribution of large quantities of data that are necessary in a large scientific research project. The paper also mentions several examples of data management solutions used in High Energy Physics for the CERN Large Hadron Collider (LHC) experiments in Geneva, Switzerland which generate more than 30,000 terabytes of data every year that need to be preserved, analyzed, and made available to a community of several tenth of thousands scientists worldwide.

iSERVO: Implementing the International Solid Earth Research Virtual Observatory by Integrating Computational Grid and Geographical Information Web Services

NASA Astrophysics Data System (ADS)

Aktas, Mehmet; Aydin, Galip; Donnellan, Andrea; Fox, Geoffrey; Granat, Robert; Grant, Lisa; Lyzenga, Greg; McLeod, Dennis; Pallickara, Shrideep; Parker, Jay; Pierce, Marlon; Rundle, John; Sayar, Ahmet; Tullis, Terry

2006-12-01

We describe the goals and initial implementation of the International Solid Earth Virtual Observatory (iSERVO). This system is built using a Web Services approach to Grid computing infrastructure and is accessed via a component-based Web portal user interface. We describe our implementations of services used by this system, including Geographical Information System (GIS)-based data grid services for accessing remote data repositories and job management services for controlling multiple execution steps. iSERVO is an example of a larger trend to build globally scalable scientific computing infrastructures using the Service Oriented Architecture approach. Adoption of this approach raises a number of research challenges in millisecond-latency message systems suitable for internet-enabled scientific applications. We review our research in these areas.

Scientific and technical information output of the Langley Research Center for Calendar Year 1985

NASA Technical Reports Server (NTRS)

1986-01-01

A compilation of the scientific and technical information that the Langley Research Center has produced during the calendar year 1985 is presented. Included are citations for Formal Reports, Quick-Release Technical Memorandums, Contractor Reports, Journal Articles and Other Publications, Meeting Presentations, Technical Talks, Computer Programs, Tech Briefs, and Patents.

Scientific and technical information output of the Langley Research Center for calendar year 1984

NASA Technical Reports Server (NTRS)

1985-01-01

The scientific and technical information that the Langley Research Center produced during the calendar year 1984 is compiled. Approximately 1650 citations are included comprising formal reports, quick-release technical memorandums, contractor reports, journal articles and other publications, meeting presentations, technical talks, computer programs, tech briefs, and patents.

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,…

Information Science Research: The Search for the Nature of Information.

ERIC Educational Resources Information Center

Kochen, Manfred

1984-01-01

High-level scientific research in the information sciences is illustrated by sampling of recent discoveries involving adaptive information processing strategies, computer and information systems, centroid scaling, economic growth of computer and communication industries, and information flow in biological systems. Relationship of information…

[Pathological gambling and computergame-addiction. Current state of research regarding two subtypes of behavioural addiction].

PubMed

Wölfling, K; Müller, K W

2010-04-01

Behavioral addictions, like pathological gambling and computer game addiction (or internet addiction), have become a growing concern in research and public interest. Currently similarities between behavioral addictions and substance dependency are controversially discussed in the scientific community. Unfortunately a mismatch exists between the large number of people seeking treatment and the small number of scientific studies on pathological gambling and computer game addiction. Prevalence of pathological gambling among the German population is estimated to be 0.2-0.5%. These estimations are comparable to prevalence rates reported for drug dependency. Latest research states that about 3% of German adolescents and young adults are believed to suffer from computer game addiction. Therefore, it is important to enhance investigations regarding the clinical and neuroscientific basis of computer game addiction. This review offers a summary of current results of research regarding pathological gambling and internet addiction. The phenomenological description of these two disorders is meant to allow a deeper understanding of behavioral addictions.

Applied Information Systems Research Program (AISRP). Workshop 2: Meeting Proceedings

NASA Technical Reports Server (NTRS)

1992-01-01

The Earth and space science participants were able to see where the current research can be applied in their disciplines and computer science participants could see potential areas for future application of computer and information systems research. The Earth and Space Science research proposals for the High Performance Computing and Communications (HPCC) program were under evaluation. Therefore, this effort was not discussed at the AISRP Workshop. OSSA's other high priority area in computer science is scientific visualization, with the entire second day of the workshop devoted to it.

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.

76 FR 45786 - Advanced Scientific Computing Advisory Committee; Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-01

... updates. EU Data Initiative. HPC & EERE Wind Program. Early Career Research on Energy Efficient Interconnect for Exascale Computing. Separating Algorithm and Implentation. Update on ASCR exascale planning...

Grand Challenges 1993: High Performance Computing and Communications. A Report by the Committee on Physical, Mathematical, and Engineering Sciences. The FY 1993 U.S. Research and Development Program.

ERIC Educational Resources Information Center

Office of Science and Technology Policy, Washington, DC.

This report presents the United States research and development program for 1993 for high performance computing and computer communications (HPCC) networks. The first of four chapters presents the program goals and an overview of the federal government's emphasis on high performance computing as an important factor in the nation's scientific and…

1993 Annual report on scientific programs: A broad research program on the sciences of complexity

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

NONE

1993-12-31

This report provides a summary of many of the research projects completed by the Santa Fe Institute (SFI) during 1993. These research efforts continue to focus on two general areas: the study of, and search for, underlying scientific principles governing complex adaptive systems, and the exploration of new theories of computation that incorporate natural mechanisms of adaptation (mutation, genetics, evolution).

Challenges and opportunities of cloud computing for atmospheric sciences

NASA Astrophysics Data System (ADS)

Pérez Montes, Diego A.; Añel, Juan A.; Pena, Tomás F.; Wallom, David C. H.

2016-04-01

Cloud computing is an emerging technological solution widely used in many fields. Initially developed as a flexible way of managing peak demand it has began to make its way in scientific research. One of the greatest advantages of cloud computing for scientific research is independence of having access to a large cyberinfrastructure to fund or perform a research project. Cloud computing can avoid maintenance expenses for large supercomputers and has the potential to 'democratize' the access to high-performance computing, giving flexibility to funding bodies for allocating budgets for the computational costs associated with a project. Two of the most challenging problems in atmospheric sciences are computational cost and uncertainty in meteorological forecasting and climate projections. Both problems are closely related. Usually uncertainty can be reduced with the availability of computational resources to better reproduce a phenomenon or to perform a larger number of experiments. Here we expose results of the application of cloud computing resources for climate modeling using cloud computing infrastructures of three major vendors and two climate models. We show how the cloud infrastructure compares in performance to traditional supercomputers and how it provides the capability to complete experiments in shorter periods of time. The monetary cost associated is also analyzed. Finally we discuss the future potential of this technology for meteorological and climatological applications, both from the point of view of operational use and research.

Reproducible Computing: a new Technology for Statistics Education and Educational Research

NASA Astrophysics Data System (ADS)

Wessa, Patrick

2009-05-01

This paper explains how the R Framework (http://www.wessa.net) and a newly developed Compendium Platform (http://www.freestatistics.org) allow us to create, use, and maintain documents that contain empirical research results which can be recomputed and reused in derived work. It is illustrated that this technological innovation can be used to create educational applications that can be shown to support effective learning of statistics and associated analytical skills. It is explained how a Compendium can be created by anyone, without the need to understand the technicalities of scientific word processing (L style="font-variant: small-caps">ATEX) or statistical computing (R code). The proposed Reproducible Computing system allows educational researchers to objectively measure key aspects of the actual learning process based on individual and constructivist activities such as: peer review, collaboration in research, computational experimentation, etc. The system was implemented and tested in three statistics courses in which the use of Compendia was used to create an interactive e-learning environment that simulated the real-world process of empirical scientific research.

Student research laboratory for optical engineering

NASA Astrophysics Data System (ADS)

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

2015-10-01

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

Exascale computing and big data

DOE PAGES

Reed, Daniel A.; Dongarra, Jack

2015-06-25

Scientific discovery and engineering innovation requires unifying traditionally separated high-performance computing and big data analytics. The tools and cultures of high-performance computing and big data analytics have diverged, to the detriment of both; unification is essential to address a spectrum of major research domains. The challenges of scale tax our ability to transmit data, compute complicated functions on that data, or store a substantial part of it; new approaches are required to meet these challenges. Finally, the international nature of science demands further development of advanced computer architectures and global standards for processing data, even as international competition complicates themore » openness of the scientific process.« less

Exascale computing and big data

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

Reed, Daniel A.; Dongarra, Jack

Scientific discovery and engineering innovation requires unifying traditionally separated high-performance computing and big data analytics. The tools and cultures of high-performance computing and big data analytics have diverged, to the detriment of both; unification is essential to address a spectrum of major research domains. The challenges of scale tax our ability to transmit data, compute complicated functions on that data, or store a substantial part of it; new approaches are required to meet these challenges. Finally, the international nature of science demands further development of advanced computer architectures and global standards for processing data, even as international competition complicates themore » openness of the scientific process.« less

Computational science: shifting the focus from tools to models

PubMed Central

Hinsen, Konrad

2014-01-01

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

Network and computing infrastructure for scientific applications in Georgia

NASA Astrophysics Data System (ADS)

Kvatadze, R.; Modebadze, Z.

2016-09-01

Status of network and computing infrastructure and available services for research and education community of Georgia are presented. Research and Educational Networking Association - GRENA provides the following network services: Internet connectivity, network services, cyber security, technical support, etc. Computing resources used by the research teams are located at GRENA and at major state universities. GE-01-GRENA site is included in European Grid infrastructure. Paper also contains information about programs of Learning Center and research and development projects in which GRENA is participating.

Operation ARA: A Computerized Learning Game that Teaches Critical Thinking and Scientific Reasoning

ERIC Educational Resources Information Center

Halpern, Diane F.; Millis, Keith; Graesser, Arthur C.; Butler, Heather; Forsyth, Carol; Cai, Zhiqiang

2012-01-01

Operation ARA (Acquiring Research Acumen) is a computerized learning game that teaches critical thinking and scientific reasoning. It is a valuable learning tool that utilizes principles from the science of learning and serious computer games. Students learn the skills of scientific reasoning by engaging in interactive dialogs with avatars. They…

Scientific Computing

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

Fermilab

2017-09-01

Scientists, engineers and programmers at Fermilab are tackling today’s most challenging computational problems. Their solutions, motivated by the needs of worldwide research in particle physics and accelerators, help America stay at the forefront of innovation.

Scientific and technical information output of the Langley Research Center for calendar year 1986

NASA Technical Reports Server (NTRS)

1987-01-01

This document is a compilation of the scientific and technical information that the Langley Research Center has produced during the calendar year 1986. Included are citations for Formal Reports, Quick-Release Technical Memorandums, Contractor Reports, Journal Articles and Other Publications, Meeting Presentations, Techncial Talks, Computer Programs, Tech Briefs, and Patents.

Computational Unification: a Vision for Connecting Researchers

NASA Astrophysics Data System (ADS)

Troy, R. M.; Kingrey, O. J.

2002-12-01

Computational Unification of science, once only a vision, is becoming a reality. This technology is based upon a scientifically defensible, general solution for Earth Science data management and processing. The computational unification of science offers a real opportunity to foster inter and intra-discipline cooperation, and the end of 're-inventing the wheel'. As we move forward using computers as tools, it is past time to move from computationally isolating, "one-off" or discipline-specific solutions into a unified framework where research can be more easily shared, especially with researchers in other disciplines. The author will discuss how distributed meta-data, distributed processing and distributed data objects are structured to constitute a working interdisciplinary system, including how these resources lead to scientific defensibility through known lineage of all data products. Illustration of how scientific processes are encapsulated and executed illuminates how previously written processes and functions are integrated into the system efficiently and with minimal effort. Meta-data basics will illustrate how intricate relationships may easily be represented and used to good advantage. Retrieval techniques will be discussed including trade-offs of using meta-data versus embedded data, how the two may be integrated, and how simplifying assumptions may or may not help. This system is based upon the experience of the Sequoia 2000 and BigSur research projects at the University of California, Berkeley, whose goals were to find an alternative to the Hughes EOS-DIS system and is presently offered by Science Tools corporation, of which the author is a principal.

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

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

Bacon, Charles; Bell, Greg; Canon, Shane

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

Scientific Visualization in High Speed Network Environments

NASA Technical Reports Server (NTRS)

Vaziri, Arsi; Kutler, Paul (Technical Monitor)

1997-01-01

In several cases, new visualization techniques have vastly increased the researcher's ability to analyze and comprehend data. Similarly, the role of networks in providing an efficient supercomputing environment have become more critical and continue to grow at a faster rate than the increase in the processing capabilities of supercomputers. A close relationship between scientific visualization and high-speed networks in providing an important link to support efficient supercomputing is identified. The two technologies are driven by the increasing complexities and volume of supercomputer data. The interaction of scientific visualization and high-speed networks in a Computational Fluid Dynamics simulation/visualization environment are given. Current capabilities supported by high speed networks, supercomputers, and high-performance graphics workstations at the Numerical Aerodynamic Simulation Facility (NAS) at NASA Ames Research Center are described. Applied research in providing a supercomputer visualization environment to support future computational requirements are summarized.

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

NASA Astrophysics Data System (ADS)

Develaki, Maria

2017-11-01

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

PREFACE: 15th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT2013)

NASA Astrophysics Data System (ADS)

Wang, Jianxiong

2014-06-01

This volume of Journal of Physics: Conference Series is dedicated to scientific contributions presented at the 15th International Workshop on Advanced Computing and Analysis Techniques in Physics Research (ACAT 2013) which took place on 16-21 May 2013 at the Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, China. The workshop series brings together computer science researchers and practitioners, and researchers from particle physics and related fields to explore and confront the boundaries of computing and of automatic data analysis and theoretical calculation techniques. This year's edition of the workshop brought together over 120 participants from all over the world. 18 invited speakers presented key topics on the universe in computer, Computing in Earth Sciences, multivariate data analysis, automated computation in Quantum Field Theory as well as computing and data analysis challenges in many fields. Over 70 other talks and posters presented state-of-the-art developments in the areas of the workshop's three tracks: Computing Technologies, Data Analysis Algorithms and Tools, and Computational Techniques in Theoretical Physics. The round table discussions on open-source, knowledge sharing and scientific collaboration stimulate us to think over the issue in the respective areas. ACAT 2013 was generously sponsored by the Chinese Academy of Sciences (CAS), National Natural Science Foundation of China (NFSC), Brookhaven National Laboratory in the USA (BNL), Peking University (PKU), Theoretical Physics Cernter for Science facilities of CAS (TPCSF-CAS) and Sugon. We would like to thank all the participants for their scientific contributions and for the en- thusiastic participation in all its activities of the workshop. Further information on ACAT 2013 can be found at http://acat2013.ihep.ac.cn. Professor Jianxiong Wang Institute of High Energy Physics Chinese Academy of Science Details of committees and sponsors are available in the PDF

Metadata Management on the SCEC PetaSHA Project: Helping Users Describe, Discover, Understand, and Use Simulation Data in a Large-Scale Scientific Collaboration

NASA Astrophysics Data System (ADS)

Okaya, D.; Deelman, E.; Maechling, P.; Wong-Barnum, M.; Jordan, T. H.; Meyers, D.

2007-12-01

Large scientific collaborations, such as the SCEC Petascale Cyberfacility for Physics-based Seismic Hazard Analysis (PetaSHA) Project, involve interactions between many scientists who exchange ideas and research results. These groups must organize, manage, and make accessible their community materials of observational data, derivative (research) results, computational products, and community software. The integration of scientific workflows as a paradigm to solve complex computations provides advantages of efficiency, reliability, repeatability, choices, and ease of use. The underlying resource needed for a scientific workflow to function and create discoverable and exchangeable products is the construction, tracking, and preservation of metadata. In the scientific workflow environment there is a two-tier structure of metadata. Workflow-level metadata and provenance describe operational steps, identity of resources, execution status, and product locations and names. Domain-level metadata essentially define the scientific meaning of data, codes and products. To a large degree the metadata at these two levels are separate. However, between these two levels is a subset of metadata produced at one level but is needed by the other. This crossover metadata suggests that some commonality in metadata handling is needed. SCEC researchers are collaborating with computer scientists at SDSC, the USC Information Sciences Institute, and Carnegie Mellon Univ. in order to perform earthquake science using high-performance computational resources. A primary objective of the "PetaSHA" collaboration is to perform physics-based estimations of strong ground motion associated with real and hypothetical earthquakes located within Southern California. Construction of 3D earth models, earthquake representations, and numerical simulation of seismic waves are key components of these estimations. Scientific workflows are used to orchestrate the sequences of scientific tasks and to access distributed computational facilities such as the NSF TeraGrid. Different types of metadata are produced and captured within the scientific workflows. One workflow within PetaSHA ("Earthworks") performs a linear sequence of tasks with workflow and seismological metadata preserved. Downstream scientific codes ingest these metadata produced by upstream codes. The seismological metadata uses attribute-value pairing in plain text; an identified need is to use more advanced handling methods. Another workflow system within PetaSHA ("Cybershake") involves several complex workflows in order to perform statistical analysis of ground shaking due to thousands of hypothetical but plausible earthquakes. Metadata management has been challenging due to its construction around a number of legacy scientific codes. We describe difficulties arising in the scientific workflow due to the lack of this metadata and suggest corrective steps, which in some cases include the cultural shift of domain science programmers coding for metadata.

Computer Synthesis Approaches of Hyperboloid Gear Drives with Linear Contact

NASA Astrophysics Data System (ADS)

Abadjiev, Valentin; Kawasaki, Haruhisa

2014-09-01

The computer design has improved forming different type software for scientific researches in the field of gearing theory as well as performing an adequate scientific support of the gear drives manufacture. Here are attached computer programs that are based on mathematical models as a result of scientific researches. The modern gear transmissions require the construction of new mathematical approaches to their geometric, technological and strength analysis. The process of optimization, synthesis and design is based on adequate iteration procedures to find out an optimal solution by varying definite parameters. The study is dedicated to accepted methodology in the creation of soft- ware for the synthesis of a class high reduction hyperboloid gears - Spiroid and Helicon ones (Spiroid and Helicon are trademarks registered by the Illinois Tool Works, Chicago, Ill). The developed basic computer products belong to software, based on original mathematical models. They are based on the two mathematical models for the synthesis: "upon a pitch contact point" and "upon a mesh region". Computer programs are worked out on the basis of the described mathematical models, and the relations between them are shown. The application of the shown approaches to the synthesis of commented gear drives is illustrated.

Integrating visualization and interaction research to improve scientific workflows.

PubMed

Keefe, Daniel F

2010-01-01

Scientific-visualization research is, nearly by necessity, interdisciplinary. In addition to their collaborators in application domains (for example, cell biology), researchers regularly build on close ties with disciplines related to visualization, such as graphics, human-computer interaction, and cognitive science. One of these ties is the connection between visualization and interaction research. This isn't a new direction for scientific visualization (see the "Early Connections" sidebar). However, momentum recently seems to be increasing toward integrating visualization research (for example, effective visual presentation of data) with interaction research (for example, innovative interactive techniques that facilitate manipulating and exploring data). We see evidence of this trend in several places, including the visualization literature and conferences.

A toolbox and a record for scientific model development

NASA Technical Reports Server (NTRS)

Ellman, Thomas

1994-01-01

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

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

NASA Astrophysics Data System (ADS)

Añel, Juan A.

2017-03-01

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