Intelligent Computational Systems. Opening Remarks: CFD Application Process Workshop

NASA Technical Reports Server (NTRS)

VanDalsem, William R.

1994-01-01

This discussion will include a short review of the challenges that must be overcome if computational physics technology is to have a larger impact on the design cycles of U.S. aerospace companies. Some of the potential solutions to these challenges may come from the information sciences fields. A few examples of potential computational physics/information sciences synergy will be presented, as motivation and inspiration for the Improving The CFD Applications Process Workshop.

High-Performance Computing Data Center Warm-Water Liquid Cooling |

Science.gov Websites

Computational Science | NREL Warm-Water Liquid Cooling High-Performance Computing Data Center Warm-Water Liquid Cooling NREL's High-Performance Computing Data Center (HPC Data Center) is liquid water Liquid cooling technologies offer a more energy-efficient solution that also allows for effective

Teaching Reductive Thinking

ERIC Educational Resources Information Center

Armoni, Michal; Gal-Ezer, Judith

2005-01-01

When dealing with a complex problem, solving it by reduction to simpler problems, or problems for which the solution is already known, is a common method in mathematics and other scientific disciplines, as in computer science and, specifically, in the field of computability. However, when teaching computational models (as part of computability)…

Understanding and Improving Blind Students' Access to Visual Information in Computer Science Education

ERIC Educational Resources Information Center

Baker, Catherine M.

2017-01-01

Teaching people with disabilities tech skills empowers them to create solutions to problems they encounter and prepares them for careers. However, computer science is typically taught in a highly visual manner which can present barriers for people who are blind. The goal of this dissertation is to understand and decrease those barriers. The first…

The Effects of Computer-Aided Concept Cartoons and Outdoor Science Activities on Light Pollution

ERIC Educational Resources Information Center

Aydin, Güliz

2015-01-01

The purpose of this study is to create an awareness of light pollution on seventh grade students via computer aided concept cartoon applications and outdoor science activities and to help them develop solutions; and to determine student opinions on the practices carried out. The study was carried out at a middle school in Mugla province of Aegean…

ENVIRONMENTAL STATISTICS INITIATIVE

EPA Science Inventory

EPA's Center of Excellence (COE) for Environmental Computational Science is intended to integrate cutting-edge science and emerging information technology (IT) solutions for input to the decision-making process. Complementing the research goals of EPA's COE, the NERL has initiat...

Future computing platforms for science in a power constrained era

DOE PAGES

Abdurachmanov, David; Elmer, Peter; Eulisse, Giulio; ...

2015-12-23

Power consumption will be a key constraint on the future growth of Distributed High Throughput Computing (DHTC) as used by High Energy Physics (HEP). This makes performance-per-watt a crucial metric for selecting cost-efficient computing solutions. For this paper, we have done a wide survey of current and emerging architectures becoming available on the market including x86-64 variants, ARMv7 32-bit, ARMv8 64-bit, Many-Core and GPU solutions, as well as newer System-on-Chip (SoC) solutions. We compare performance and energy efficiency using an evolving set of standardized HEP-related benchmarks and power measurement techniques we have been developing. In conclusion, we evaluate the potentialmore » for use of such computing solutions in the context of DHTC systems, such as the Worldwide LHC Computing Grid (WLCG).« less

Scientific Computing Strategic Plan for the Idaho National Laboratory

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

Whiting, Eric Todd

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

Expanding capacity and promoting inclusion in introductory computer science: a focus on near-peer mentor preparation and code review

NASA Astrophysics Data System (ADS)

Pon-Barry, Heather; Packard, Becky Wai-Ling; St. John, Audrey

2017-01-01

A dilemma within computer science departments is developing sustainable ways to expand capacity within introductory computer science courses while remaining committed to inclusive practices. Training near-peer mentors for peer code review is one solution. This paper describes the preparation of near-peer mentors for their role, with a focus on regular, consistent feedback via peer code review and inclusive pedagogy. Introductory computer science students provided consistently high ratings of the peer mentors' knowledge, approachability, and flexibility, and credited peer mentor meetings for their strengthened self-efficacy and understanding. Peer mentors noted the value of videotaped simulations with reflection, discussions of inclusion, and the cohort's weekly practicum for improving practice. Adaptations of peer mentoring for different types of institutions are discussed. Computer science educators, with hopes of improving the recruitment and retention of underrepresented groups, can benefit from expanding their peer support infrastructure and improving the quality of peer mentor preparation.

EPA SCIENCE FORUM - EPA'S TOXICOGENOMICS PARTNERSHIPS ACROSS GOVERNMENT, ACADEMIA AND INDUSTRY

EPA Science Inventory

Over the past decade genomics, proteomics and metabonomics technologies have transformed the science of toxicology, and concurrent advances in computing and informatics have provided management and analysis solutions for this onslaught of toxicogenomic data. EPA has been actively...

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.

Advances in Cross-Cutting Ideas for Computational Climate Science

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

Ng, Esmond; Evans, Katherine J.; Caldwell, Peter

This report presents results from the DOE-sponsored workshop titled, ``Advancing X-Cutting Ideas for Computational Climate Science Workshop,'' known as AXICCS, held on September 12--13, 2016 in Rockville, MD. The workshop brought together experts in climate science, computational climate science, computer science, and mathematics to discuss interesting but unsolved science questions regarding climate modeling and simulation, promoted collaboration among the diverse scientists in attendance, and brainstormed about possible tools and capabilities that could be developed to help address them. Emerged from discussions at the workshop were several research opportunities that the group felt could advance climate science significantly. These include (1)more » process-resolving models to provide insight into important processes and features of interest and inform the development of advanced physical parameterizations, (2) a community effort to develop and provide integrated model credibility, (3) including, organizing, and managing increasingly connected model components that increase model fidelity yet complexity, and (4) treating Earth system models as one interconnected organism without numerical or data based boundaries that limit interactions. The group also identified several cross-cutting advances in mathematics, computer science, and computational science that would be needed to enable one or more of these big ideas. It is critical to address the need for organized, verified, and optimized software, which enables the models to grow and continue to provide solutions in which the community can have confidence. Effectively utilizing the newest computer hardware enables simulation efficiency and the ability to handle output from increasingly complex and detailed models. This will be accomplished through hierarchical multiscale algorithms in tandem with new strategies for data handling, analysis, and storage. These big ideas and cross-cutting technologies for enabling breakthrough climate simulation advancements also need the "glue" of outreach and learning across the scientific domains to be successful. The workshop identified several strategies to allow productive, continuous engagement across those who have a broad knowledge of the various angles of the problem. Specific ideas to foster education and tools to make material progress were discussed. Examples include follow-on cross-cutting meetings that enable unstructured discussions of the types this workshop fostered. A concerted effort to recruit undergraduate and graduate students from all relevant domains and provide them experience, training, and networking across their immediate expertise is needed. This will broaden and expand their exposure to the future needs and solutions, and provide a pipeline of scientists with a diversity of knowledge and know-how. Providing real-world experience with subject matter experts from multiple angles may also motivate the students to attack these problems and even come up with the missing solutions.« less

Advances in Cross-Cutting Ideas for Computational Climate Science

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

Ng, E.; Evans, K.; Caldwell, P.

This report presents results from the DOE-sponsored workshop titled, Advancing X-Cutting Ideas for Computational Climate Science Workshop,'' known as AXICCS, held on September 12--13, 2016 in Rockville, MD. The workshop brought together experts in climate science, computational climate science, computer science, and mathematics to discuss interesting but unsolved science questions regarding climate modeling and simulation, promoted collaboration among the diverse scientists in attendance, and brainstormed about possible tools and capabilities that could be developed to help address them. Emerged from discussions at the workshop were several research opportunities that the group felt could advance climate science significantly. These include (1)more » process-resolving models to provide insight into important processes and features of interest and inform the development of advanced physical parameterizations, (2) a community effort to develop and provide integrated model credibility, (3) including, organizing, and managing increasingly connected model components that increase model fidelity yet complexity, and (4) treating Earth system models as one interconnected organism without numerical or data based boundaries that limit interactions. The group also identified several cross-cutting advances in mathematics, computer science, and computational science that would be needed to enable one or more of these big ideas. It is critical to address the need for organized, verified, and optimized software, which enables the models to grow and continue to provide solutions in which the community can have confidence. Effectively utilizing the newest computer hardware enables simulation efficiency and the ability to handle output from increasingly complex and detailed models. This will be accomplished through hierarchical multiscale algorithms in tandem with new strategies for data handling, analysis, and storage. These big ideas and cross-cutting technologies for enabling breakthrough climate simulation advancements also need the "glue" of outreach and learning across the scientific domains to be successful. The workshop identified several strategies to allow productive, continuous engagement across those who have a broad knowledge of the various angles of the problem. Specific ideas to foster education and tools to make material progress were discussed. Examples include follow-on cross-cutting meetings that enable unstructured discussions of the types this workshop fostered. A concerted effort to recruit undergraduate and graduate students from all relevant domains and provide them experience, training, and networking across their immediate expertise is needed. This will broaden and expand their exposure to the future needs and solutions, and provide a pipeline of scientists with a diversity of knowledge and know-how. Providing real-world experience with subject matter experts from multiple angles may also motivate the students to attack these problems and even come up with the missing solutions.« less

Paper-and-Pencil Programming Strategy toward Computational Thinking for Non-Majors: Design Your Solution

ERIC Educational Resources Information Center

Kim, Byeongsu; Kim, Taehun; Kim, Jonghoon

2013-01-01

The paper-and-pencil programming strategy (PPS) is a way of representing an idea logically by any representation that can be created using paper and pencil. It was developed for non-computer majors to improve their understanding and use of computational thinking and increase interest in learning computer science. A total of 110 non-majors in their…

Workflows and Provenance: Toward Information Science Solutions for the Natural Sciences.

PubMed

Gryk, Michael R; Ludäscher, Bertram

2017-01-01

The era of big data and ubiquitous computation has brought with it concerns about ensuring reproducibility in this new research environment. It is easy to assume computational methods self-document by their very nature of being exact, deterministic processes. However, similar to laboratory experiments, ensuring reproducibility in the computational realm requires the documentation of both the protocols used (workflows) as well as a detailed description of the computational environment: algorithms, implementations, software environments as well as the data ingested and execution logs of the computation. These two aspects of computational reproducibility (workflows and execution details) are discussed in the context of biomolecular Nuclear Magnetic Resonance spectroscopy (bioNMR) as well as the PRIMAD model for computational reproducibility.

Seeing beyond Computer Science and Software Engineering

NASA Astrophysics Data System (ADS)

Nori, Kesav Vithal

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

A review of existing and emerging digital technologies to combat the global trade in fake medicines.

PubMed

Mackey, Tim K; Nayyar, Gaurvika

2017-05-01

The globalization of the pharmaceutical supply chain has introduced new challenges, chief among them, fighting the international criminal trade in fake medicines. As the manufacture, supply, and distribution of drugs becomes more complex, so does the need for innovative technology-based solutions to protect patients globally. Areas covered: We conducted a multidisciplinary review of the science/health, information technology, computer science, and general academic literature with the aim of identifying cutting-edge existing and emerging 'digital' solutions to combat fake medicines. Our review identified five distinct categories of technology including mobile, radio frequency identification, advanced computational methods, online verification, and blockchain technology. Expert opinion: Digital fake medicine solutions are unifying platforms that integrate different types of anti-counterfeiting technologies as complementary solutions, improve information sharing and data collection, and are designed to overcome existing barriers of adoption and implementation. Investment in this next generation technology is essential to ensure the future security and integrity of the global drug supply chain.

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.

The Shortlist Method for fast computation of the Earth Mover's Distance and finding optimal solutions to transportation problems.

PubMed

Gottschlich, Carsten; Schuhmacher, Dominic

2014-01-01

Finding solutions to the classical transportation problem is of great importance, since this optimization problem arises in many engineering and computer science applications. Especially the Earth Mover's Distance is used in a plethora of applications ranging from content-based image retrieval, shape matching, fingerprint recognition, object tracking and phishing web page detection to computing color differences in linguistics and biology. Our starting point is the well-known revised simplex algorithm, which iteratively improves a feasible solution to optimality. The Shortlist Method that we propose substantially reduces the number of candidates inspected for improving the solution, while at the same time balancing the number of pivots required. Tests on simulated benchmarks demonstrate a considerable reduction in computation time for the new method as compared to the usual revised simplex algorithm implemented with state-of-the-art initialization and pivot strategies. As a consequence, the Shortlist Method facilitates the computation of large scale transportation problems in viable time. In addition we describe a novel method for finding an initial feasible solution which we coin Modified Russell's Method.

The Shortlist Method for Fast Computation of the Earth Mover's Distance and Finding Optimal Solutions to Transportation Problems

PubMed Central

Gottschlich, Carsten; Schuhmacher, Dominic

2014-01-01

Finding solutions to the classical transportation problem is of great importance, since this optimization problem arises in many engineering and computer science applications. Especially the Earth Mover's Distance is used in a plethora of applications ranging from content-based image retrieval, shape matching, fingerprint recognition, object tracking and phishing web page detection to computing color differences in linguistics and biology. Our starting point is the well-known revised simplex algorithm, which iteratively improves a feasible solution to optimality. The Shortlist Method that we propose substantially reduces the number of candidates inspected for improving the solution, while at the same time balancing the number of pivots required. Tests on simulated benchmarks demonstrate a considerable reduction in computation time for the new method as compared to the usual revised simplex algorithm implemented with state-of-the-art initialization and pivot strategies. As a consequence, the Shortlist Method facilitates the computation of large scale transportation problems in viable time. In addition we describe a novel method for finding an initial feasible solution which we coin Modified Russell's Method. PMID:25310106

Hispanic women overcoming deterrents to computer science: A phenomenological study

NASA Astrophysics Data System (ADS)

Herling, Lourdes

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

Non-parallel processing: Gendered attrition in academic computer science

NASA Astrophysics Data System (ADS)

Cohoon, Joanne Louise Mcgrath

2000-10-01

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

eScience for molecular-scale simulations and the eMinerals project.

PubMed

Salje, E K H; Artacho, E; Austen, K F; Bruin, R P; Calleja, M; Chappell, H F; Chiang, G-T; Dove, M T; Frame, I; Goodwin, A L; Kleese van Dam, K; Marmier, A; Parker, S C; Pruneda, J M; Todorov, I T; Trachenko, K; Tyer, R P; Walker, A M; White, T O H

2009-03-13

We review the work carried out within the eMinerals project to develop eScience solutions that facilitate a new generation of molecular-scale simulation work. Technological developments include integration of compute and data systems, developing of collaborative frameworks and new researcher-friendly tools for grid job submission, XML data representation, information delivery, metadata harvesting and metadata management. A number of diverse science applications will illustrate how these tools are being used for large parameter-sweep studies, an emerging type of study for which the integration of computing, data and collaboration is essential.

Bringing Computational Thinking into the High School Science and Math Classroom

NASA Astrophysics Data System (ADS)

Trouille, Laura; Beheshti, E.; Horn, M.; Jona, K.; Kalogera, V.; Weintrop, D.; Wilensky, U.; University CT-STEM Project, Northwestern; University CenterTalent Development, Northwestern

2013-01-01

Computational thinking (for example, the thought processes involved in developing algorithmic solutions to problems that can then be automated for computation) has revolutionized the way we do science. The Next Generation Science Standards require that teachers support their students’ development of computational thinking and computational modeling skills. As a result, there is a very high demand among teachers for quality materials. Astronomy provides an abundance of opportunities to support student development of computational thinking skills. Our group has taken advantage of this to create a series of astronomy-based computational thinking lesson plans for use in typical physics, astronomy, and math high school classrooms. This project is funded by the NSF Computing Education for the 21st Century grant and is jointly led by Northwestern University’s Center for Interdisciplinary Exploration and Research in Astrophysics (CIERA), the Computer Science department, the Learning Sciences department, and the Office of STEM Education Partnerships (OSEP). I will also briefly present the online ‘Astro Adventures’ courses for middle and high school students I have developed through NU’s Center for Talent Development. The online courses take advantage of many of the amazing online astronomy enrichment materials available to the public, including a range of hands-on activities and the ability to take images with the Global Telescope Network. The course culminates with an independent computational research project.

Connecting Biology and Organic Chemistry Introductory Laboratory Courses through a Collaborative Research Project

ERIC Educational Resources Information Center

Boltax, Ariana L.; Armanious, Stephanie; Kosinski-Collins, Melissa S.; Pontrello, Jason K.

2015-01-01

Modern research often requires collaboration of experts in fields, such as math, chemistry, biology, physics, and computer science to develop unique solutions to common problems. Traditional introductory undergraduate laboratory curricula in the sciences often do not emphasize connections possible between the various disciplines. We designed an…

Using NCLab-karel to improve computational thinking skill of junior high school students

NASA Astrophysics Data System (ADS)

Kusnendar, J.; Prabawa, H. W.

2018-05-01

Increasingly human interaction with technology and the increasingly complex development of digital technology world make the theme of computer science education interesting to study. Previous studies on Computer Literacy and Competency reveal that Indonesian teachers in general have fairly high computational skill, but their skill utilization are limited to some applications. This engenders limited and minimum computer-related learning for the students. On the other hand, computer science education is considered unrelated to real-world solutions. This paper attempts to address the utilization of NCLab- Karel in shaping the computational thinking in students. This computational thinking is believed to be able to making learn students about technology. Implementation of Karel utilization provides information that Karel is able to increase student interest in studying computational material, especially algorithm. Observations made during the learning process also indicate the growth and development of computing mindset in students.

Business aspects and sustainability for healthgrids - an expert survey.

PubMed

Scholz, Stefan; Semler, Sebastian C; Breitner, Michael H

2009-01-01

Grid computing initiatives in medicine and life sciences are under pressure to prove their sustainability. While some first business model frameworks were outlined, few practical experiences were considered. This gap has been narrowed by an international survey of 33 grid computing experts with biomedical and non-biomedical background on business aspects. The experts surveyed were cautiously optimistic about a sustainable implementation of grid computing within a mid term timeline. They identified marketable application areas, stated the underlying value proposition, outlined trends and specify critical success factors. From a general perspective of their answers, they provided a stable basis for a road map of sustainable grid computing solutions for medicine and life sciences.

Using Pedagogical Tools to Help Hispanics be Successful in Computer Science

NASA Astrophysics Data System (ADS)

Irish, Rodger

Irish, Rodger, Using Pedagogical Tools to Help Hispanics Be Successful in Computer Science. Master of Science (MS), July 2017, 68 pp., 4 tables, 2 figures, references 48 titles. Computer science (CS) jobs are a growing field and pay a living wage, but the Hispanics are underrepresented in this field. This project seeks to give an overview of several contributing factors to this problem. It will then explore some possible solutions to this problem and how a combination of some tools (teaching methods) can create the best possible outcome. It is my belief that this approach can produce successful Hispanics to fill the needed jobs in the CS field. Then the project will test its hypothesis. I will discuss the tools used to measure progress both in the affective and the cognitive domains. I will show how the decision to run a Computer Club was reached and the results of the research. The conclusion will summarize the results and tell of future research that still needs to be done.

A Human Endeavor: Lessons from Shakespeare and Beyond

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

Bishop, Matt; Frincke, Deb A.

This article discusses human-oriented educational activities that support the study of computer security. It poses the point that technology is perhaps the least important aspect of security solutions, and that because of this, the fields of psychology, literature, business, and political science have significant value for any serious student of the science of security.

Using Scenarios to Design Complex Technology-Enhanced Learning Environments

ERIC Educational Resources Information Center

de Jong, Ton; Weinberger, Armin; Girault, Isabelle; Kluge, Anders; Lazonder, Ard W.; Pedaste, Margus; Ludvigsen, Sten; Ney, Muriel; Wasson, Barbara; Wichmann, Astrid; Geraedts, Caspar; Giemza, Adam; Hovardas, Tasos; Julien, Rachel; van Joolingen, Wouter R.; Lejeune, Anne; Manoli, Constantinos C.; Matteman, Yuri; Sarapuu, Tago; Verkade, Alex; Vold, Vibeke; Zacharia, Zacharias C.

2012-01-01

Science Created by You (SCY) learning environments are computer-based environments in which students learn about science topics in the context of addressing a socio-scientific problem. Along their way to a solution for this problem students produce many types of intermediate products or learning objects. SCY learning environments center the entire…

Synthesizing Results from Empirical Research on Computer-Based Scaffolding in STEM Education: A Meta-Analysis

ERIC Educational Resources Information Center

Belland, Brian R.; Walker, Andrew E.; Kim, Nam Ju; Lefler, Mason

2017-01-01

Computer-based scaffolding assists students as they generate solutions to complex problems, goals, or tasks, helping increase and integrate their higher order skills in the process. However, despite decades of research on scaffolding in STEM (science, technology, engineering, and mathematics) education, no existing comprehensive meta-analysis has…

Reviews.

ERIC Educational Resources Information Center

Science Teacher, 1987

1987-01-01

Provides reviews of four computer software packages designed for use in science education. Describes courseware dealing with a variety of tips for teaching physics concepts, chemical reactions in an aqueous solution, mitosis and meiosis, and photosynthesis. (TW)

A Pair of Resonance Stripe Solitons and Lump Solutions to a Reduced (3+1)-Dimensional Nonlinear Evolution Equation

NASA Astrophysics Data System (ADS)

Chen, Mei-Dan; Li, Xian; Wang, Yao; Li, Biao

2017-06-01

With symbolic computation, some lump solutions are presented to a (3+1)-dimensional nonlinear evolution equation by searching the positive quadratic function from the Hirota bilinear form of equation. The quadratic function contains six free parameters, four of which satisfy two determinant conditions guaranteeing analyticity and rational localization of the solutions, while the others are free. Then, by combining positive quadratic function with exponential function, the interaction solutions between lump solutions and the stripe solitons are presented on the basis of some conditions. Furthermore, we extend this method to obtain more general solutions by combining of positive quadratic function and hyperbolic cosine function. Thus the interaction solutions between lump solutions and a pair of resonance stripe solitons are derived and asymptotic property of the interaction solutions are analyzed under some specific conditions. Finally, the dynamic properties of these solutions are shown in figures by choosing the values of the parameters. Supported by National Natural Science Foundation of China under Grant Nos. 11271211, 11275072, and 11435005, Ningbo Natural Science Foundation under Grant No. 2015A610159 and the Opening Project of Zhejiang Provincial Top Key Discipline of Physics Sciences in Ningbo University under Grant No. xkzw11502 and K.C. Wong Magna Fund in Ningbo University

Social Significance of Fundamental Science Common to all Mankind

NASA Astrophysics Data System (ADS)

Zel'Dovich, Ya. B.

It is a challenge of science to play a great role in solution of the problem of meeting material and spiritual human demands. The argument is known that science has become a productive force. When characterizing economy of one or another country or region, it is a practice to speak about science-intensive works, i.e., those where production and competitiveness are directly related to a science level. The science-intensive works include, for example, production of microelectronic circuits and their application in computer and information science or production of pharmaceutical preparations using gene engineering. This list could be continued indefinitely…

Phylo: A Citizen Science Approach for Improving Multiple Sequence Alignment

PubMed Central

Kam, Alfred; Kwak, Daniel; Leung, Clarence; Wu, Chu; Zarour, Eleyine; Sarmenta, Luis; Blanchette, Mathieu; Waldispühl, Jérôme

2012-01-01

Background Comparative genomics, or the study of the relationships of genome structure and function across different species, offers a powerful tool for studying evolution, annotating genomes, and understanding the causes of various genetic disorders. However, aligning multiple sequences of DNA, an essential intermediate step for most types of analyses, is a difficult computational task. In parallel, citizen science, an approach that takes advantage of the fact that the human brain is exquisitely tuned to solving specific types of problems, is becoming increasingly popular. There, instances of hard computational problems are dispatched to a crowd of non-expert human game players and solutions are sent back to a central server. Methodology/Principal Findings We introduce Phylo, a human-based computing framework applying “crowd sourcing” techniques to solve the Multiple Sequence Alignment (MSA) problem. The key idea of Phylo is to convert the MSA problem into a casual game that can be played by ordinary web users with a minimal prior knowledge of the biological context. We applied this strategy to improve the alignment of the promoters of disease-related genes from up to 44 vertebrate species. Since the launch in November 2010, we received more than 350,000 solutions submitted from more than 12,000 registered users. Our results show that solutions submitted contributed to improving the accuracy of up to 70% of the alignment blocks considered. Conclusions/Significance We demonstrate that, combined with classical algorithms, crowd computing techniques can be successfully used to help improving the accuracy of MSA. More importantly, we show that an NP-hard computational problem can be embedded in casual game that can be easily played by people without significant scientific training. This suggests that citizen science approaches can be used to exploit the billions of “human-brain peta-flops” of computation that are spent every day playing games. Phylo is available at: http://phylo.cs.mcgill.ca. PMID:22412834

A cross-disciplinary introduction to quantum annealing-based algorithms

NASA Astrophysics Data System (ADS)

Venegas-Andraca, Salvador E.; Cruz-Santos, William; McGeoch, Catherine; Lanzagorta, Marco

2018-04-01

A central goal in quantum computing is the development of quantum hardware and quantum algorithms in order to analyse challenging scientific and engineering problems. Research in quantum computation involves contributions from both physics and computer science; hence this article presents a concise introduction to basic concepts from both fields that are used in annealing-based quantum computation, an alternative to the more familiar quantum gate model. We introduce some concepts from computer science required to define difficult computational problems and to realise the potential relevance of quantum algorithms to find novel solutions to those problems. We introduce the structure of quantum annealing-based algorithms as well as two examples of this kind of algorithms for solving instances of the max-SAT and Minimum Multicut problems. An overview of the quantum annealing systems manufactured by D-Wave Systems is also presented.

Exploring the quantum speed limit with computer games

NASA Astrophysics Data System (ADS)

Sørensen, Jens Jakob W. H.; Pedersen, Mads Kock; Munch, Michael; Haikka, Pinja; Jensen, Jesper Halkjær; Planke, Tilo; Andreasen, Morten Ginnerup; Gajdacz, Miroslav; Mølmer, Klaus; Lieberoth, Andreas; Sherson, Jacob F.

2016-04-01

Humans routinely solve problems of immense computational complexity by intuitively forming simple, low-dimensional heuristic strategies. Citizen science (or crowd sourcing) is a way of exploiting this ability by presenting scientific research problems to non-experts. ‘Gamification’—the application of game elements in a non-game context—is an effective tool with which to enable citizen scientists to provide solutions to research problems. The citizen science games Foldit, EteRNA and EyeWire have been used successfully to study protein and RNA folding and neuron mapping, but so far gamification has not been applied to problems in quantum physics. Here we report on Quantum Moves, an online platform gamifying optimization problems in quantum physics. We show that human players are able to find solutions to difficult problems associated with the task of quantum computing. Players succeed where purely numerical optimization fails, and analyses of their solutions provide insights into the problem of optimization of a more profound and general nature. Using player strategies, we have thus developed a few-parameter heuristic optimization method that efficiently outperforms the most prominent established numerical methods. The numerical complexity associated with time-optimal solutions increases for shorter process durations. To understand this better, we produced a low-dimensional rendering of the optimization landscape. This rendering reveals why traditional optimization methods fail near the quantum speed limit (that is, the shortest process duration with perfect fidelity). Combined analyses of optimization landscapes and heuristic solution strategies may benefit wider classes of optimization problems in quantum physics and beyond.

Exploring the quantum speed limit with computer games.

PubMed

Sørensen, Jens Jakob W H; Pedersen, Mads Kock; Munch, Michael; Haikka, Pinja; Jensen, Jesper Halkjær; Planke, Tilo; Andreasen, Morten Ginnerup; Gajdacz, Miroslav; Mølmer, Klaus; Lieberoth, Andreas; Sherson, Jacob F

2016-04-14

Humans routinely solve problems of immense computational complexity by intuitively forming simple, low-dimensional heuristic strategies. Citizen science (or crowd sourcing) is a way of exploiting this ability by presenting scientific research problems to non-experts. 'Gamification'--the application of game elements in a non-game context--is an effective tool with which to enable citizen scientists to provide solutions to research problems. The citizen science games Foldit, EteRNA and EyeWire have been used successfully to study protein and RNA folding and neuron mapping, but so far gamification has not been applied to problems in quantum physics. Here we report on Quantum Moves, an online platform gamifying optimization problems in quantum physics. We show that human players are able to find solutions to difficult problems associated with the task of quantum computing. Players succeed where purely numerical optimization fails, and analyses of their solutions provide insights into the problem of optimization of a more profound and general nature. Using player strategies, we have thus developed a few-parameter heuristic optimization method that efficiently outperforms the most prominent established numerical methods. The numerical complexity associated with time-optimal solutions increases for shorter process durations. To understand this better, we produced a low-dimensional rendering of the optimization landscape. This rendering reveals why traditional optimization methods fail near the quantum speed limit (that is, the shortest process duration with perfect fidelity). Combined analyses of optimization landscapes and heuristic solution strategies may benefit wider classes of optimization problems in quantum physics and beyond.

Floaters and Sinkers: Solutions for Math and Science. Densities and Volumes. Book 5.

ERIC Educational Resources Information Center

Wiebe, Arthur, Ed.; And Others

Developed to serve as a way to integrate mathematics skills and science processes, this booklet provides activities which demonstrate the concept of density for students of grades five through nine. Investigations are offered on the densities of water, salt, salt water, and woods. Opportunities are also provided in computing volumes of cylinders…

Understanding and Improving Blind Students' Access to Visual Information in Computer Science Education

NASA Astrophysics Data System (ADS)

Baker, Catherine M.

Teaching people with disabilities tech skills empowers them to create solutions to problems they encounter and prepares them for careers. However, computer science is typically taught in a highly visual manner which can present barriers for people who are blind. The goal of this dissertation is to understand and decrease those barriers. The first projects I present looked at the barriers that blind students face. I first present the results of my survey and interviews with blind students with degrees in computer science or related fields. This work highlighted the many barriers that these blind students faced. I then followed-up on one of the barriers mentioned, access to technology, by doing a preliminary accessibility evaluation of six popular integrated development environments (IDEs) and code editors. I found that half were unusable and all had some inaccessible portions. As access to visual information is a barrier in computer science education, I present three projects I have done to decrease this barrier. The first project is Tactile Graphics with a Voice (TGV). This project investigated an alternative to Braille labels for those who do not know Braille and showed that TGV was a potential alternative. The next project was StructJumper, which created a modified abstract syntax tree that blind programmers could use to navigate through code with their screen reader. The evaluation showed that users could navigate more quickly and easily determine the relationships of lines of code when they were using StructJumper compared to when they were not. Finally, I present a tool for dynamic graphs (the type with nodes and edges) which had two different modes for handling focus changes when moving between graphs. I found that the modes support different approaches for exploring the graphs and therefore preferences are mixed based on the user's preferred approach. However, both modes had similar accuracy in completing the tasks. These projects are a first step towards the goal of making computer science education more accessible to blind students. By identifying the barriers that exist and creating solutions to overcome them, we can support increasing the number of blind students in computer science.

Progress on the Fabric for Frontier Experiments Project at Fermilab

NASA Astrophysics Data System (ADS)

Box, Dennis; Boyd, Joseph; Dykstra, Dave; Garzoglio, Gabriele; Herner, Kenneth; Kirby, Michael; Kreymer, Arthur; Levshina, Tanya; Mhashilkar, Parag; Sharma, Neha

2015-12-01

The FabrIc for Frontier Experiments (FIFE) project is an ambitious, major-impact initiative within the Fermilab Scientific Computing Division designed to lead the computing model for Fermilab experiments. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying needs and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of Open Science Grid solutions for high throughput computing, data management, database access and collaboration within experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including new job submission services, software and reference data distribution through CVMFS repositories, flexible data transfer client, and access to opportunistic resources on the Open Science Grid. The progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken a leading role in the definition of the computing model for Fermilab experiments, aided in the design of computing for experiments beyond Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide.

IBM Watson: How Cognitive Computing Can Be Applied to Big Data Challenges in Life Sciences Research.

PubMed

Chen, Ying; Elenee Argentinis, J D; Weber, Griff

2016-04-01

Life sciences researchers are under pressure to innovate faster than ever. Big data offer the promise of unlocking novel insights and accelerating breakthroughs. Ironically, although more data are available than ever, only a fraction is being integrated, understood, and analyzed. The challenge lies in harnessing volumes of data, integrating the data from hundreds of sources, and understanding their various formats. New technologies such as cognitive computing offer promise for addressing this challenge because cognitive solutions are specifically designed to integrate and analyze big datasets. Cognitive solutions can understand different types of data such as lab values in a structured database or the text of a scientific publication. Cognitive solutions are trained to understand technical, industry-specific content and use advanced reasoning, predictive modeling, and machine learning techniques to advance research faster. Watson, a cognitive computing technology, has been configured to support life sciences research. This version of Watson includes medical literature, patents, genomics, and chemical and pharmacological data that researchers would typically use in their work. Watson has also been developed with specific comprehension of scientific terminology so it can make novel connections in millions of pages of text. Watson has been applied to a few pilot studies in the areas of drug target identification and drug repurposing. The pilot results suggest that Watson can accelerate identification of novel drug candidates and novel drug targets by harnessing the potential of big data. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Automated hydroponics nutrition plants systems using arduino uno microcontroller based on android

NASA Astrophysics Data System (ADS)

Sihombing, P.; Karina, N. A.; Tarigan, J. T.; Syarif, M. I.

2018-03-01

Technological developments today make the combination of science is very common, including in Computer Science and Agriculture to make both of science need each other. This paper aims to develop a control tool for the flow of nutrients of hydroponic plants automatically using Arduino microcontroller and controlled by smartphone. We use an Arduino Uno microcontroller to automatically control the flow of nutrient solution with logic if else. The microcontroller can also send data of fluid level (solution) and temperature around the plant to smartphone android of the owner of the hydroponics plant. The height of the nutrient solution (water) is detected by the Ultrasonic sensor HC-SR04 and the temperature is detected by the temperature sensor LM35. Data from the sensor will forward into Arduino Uno and displayed in liquid crystal display (LCD) then via wireless fidelity (WIFI) ESP8266 module will transmit the height of the nutrient solution and the temperature around of the plants to Android smartphone.

Learning Evolution and the Nature of Science Using Evolutionary Computing and Artificial Life

ERIC Educational Resources Information Center

Pennock, Robert T.

2007-01-01

Because evolution in natural systems happens so slowly, it is difficult to design inquiry-based labs where students can experiment and observe evolution in the way they can when studying other phenomena. New research in evolutionary computation and artificial life provides a solution to this problem. This paper describes a new A-Life software…

Illustrative Computer Programming for Libraries; Selected Examples for Information Specialists. Contributions in Librarianship and Information Science, No. 12.

ERIC Educational Resources Information Center

Davis, Charles H.

Intended for teaching applications programing for libraries and information centers, this volume is a graded workbook or text supplement containing typical practice problems, suggested solutions, and brief analyses which emphasize programing efficiency. The computer language used is Programing Language/One (PL/1) because it adapts readily to…

The fusion of biology, computer science, and engineering: towards efficient and successful synthetic biology.

PubMed

Linshiz, Gregory; Goldberg, Alex; Konry, Tania; Hillson, Nathan J

2012-01-01

Synthetic biology is a nascent field that emerged in earnest only around the turn of the millennium. It aims to engineer new biological systems and impart new biological functionality, often through genetic modifications. The design and construction of new biological systems is a complex, multistep process, requiring multidisciplinary collaborative efforts from "fusion" scientists who have formal training in computer science or engineering, as well as hands-on biological expertise. The public has high expectations for synthetic biology and eagerly anticipates the development of solutions to the major challenges facing humanity. This article discusses laboratory practices and the conduct of research in synthetic biology. It argues that the fusion science approach, which integrates biology with computer science and engineering best practices, including standardization, process optimization, computer-aided design and laboratory automation, miniaturization, and systematic management, will increase the predictability and reproducibility of experiments and lead to breakthroughs in the construction of new biological systems. The article also discusses several successful fusion projects, including the development of software tools for DNA construction design automation, recursive DNA construction, and the development of integrated microfluidics systems.

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network.

PubMed

Goto, Hayato

2016-02-22

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence.

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network

NASA Astrophysics Data System (ADS)

Goto, Hayato

2016-02-01

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence.

A general theory of two- and three-dimensional rotational flow in subsonic and transonic turbomachines

NASA Technical Reports Server (NTRS)

Wu, Chung-Hua

1993-01-01

This report represents a general theory applicable to axial, radial, and mixed flow turbomachines operating at subsonic and supersonic speeds with a finite number of blades of finite thickness. References reflect the evolution of computational methods used, from the inception of the theory in the 50's to the high-speed computer era of the 90's. Two kinds of relative stream surfaces, S(sub 1) and S(sub 2), are introduced for the purpose of obtaining a three-dimensional flow solution through the combination of two-dimensional flow solutions. Nonorthogonal curvilinear coordinates are used for the governing equations. Methods of computing transonic flow along S(sub 1) and S(sub 2) stream surfaces are given for special cases as well as for fully three-dimensional transonic flows. Procedures pertaining to the direct solutions and inverse solutions are presented. Information on shock wave locations and shapes needed for computations are discussed. Experimental data from a Deutsche Forschungs- und Versuchsanstalt fur Luft- und Raumfahrt e.V. (DFVLR) rotor and from a Chinese Academy of Sciences (CAS) transonic compressor rotor are compared with the computed flow properties.

Computers and Education. Hearings before the Subcommittee on Investigations and Oversight of the Committee on Science and Technology. U.S. House of Representatives, Ninety-Eighth Congress, First Session (September 28, 29, 1983).

ERIC Educational Resources Information Center

Congress of the U.S., Washington, DC. House Committee on Science and Technology.

This report considers the current and future impact of technology on schools, solutions to existing problems, and major policy questions concerning computer technology's role in education. Experiences of several universities in integrating computers into their programs are reviewed, as well as those of states and local school districts in…

New Double-Periodic Soliton Solutions for the (2+1)-Dimensional Breaking Soliton Equation

NASA Astrophysics Data System (ADS)

Liu, Jian-Guo; Tian, Yu

2018-05-01

Under investigation is the (2+1)-dimensional breaking soliton equation. Based on a special ansätz functions and the bilinear form, some entirely new double-periodic soliton solutions for the (2+1)-dimensional breaking soliton equation are presented. With the help of symbolic computation software Mathematica, many important and interesting properties for these obtained solutions are revealed with some figures. Supported by National Natural Science Foundation of China under Grant No. 61377067

Modeling biological problems in computer science: a case study in genome assembly.

PubMed

Medvedev, Paul

2018-01-30

As computer scientists working in bioinformatics/computational biology, we often face the challenge of coming up with an algorithm to answer a biological question. This occurs in many areas, such as variant calling, alignment and assembly. In this tutorial, we use the example of the genome assembly problem to demonstrate how to go from a question in the biological realm to a solution in the computer science realm. We show the modeling process step-by-step, including all the intermediate failed attempts. Please note this is not an introduction to how genome assembly algorithms work and, if treated as such, would be incomplete and unnecessarily long-winded. © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Art in Science Competition invites artworks to the annual exhibition on ISMB 2018 in Chicago.

PubMed

Welch, Lonnie; Gaeta, Bruno; Kovats, Diane E; Frenkel Morgenstern, Milana

2018-01-01

The International Society of Computational Biology and Bioinformatics (ISCB) brings together scientists from a wide range of disciplines, including biology, medicine, computer science, mathematics and statistics. Practitioners in these fields are constantly dealing with information in visual form: from microscope images and photographs of gels to scatter plots, network graphs and phylogenetic trees, structural formulae and protein models to flow diagrams, visual aids for problem-solving are omnipresent. The ISCB Art in Science Competition 2017 at the ISCB/ECCB 2017 conference in Prague offered a way to show the beauty of science in art form. Past artworks in this annual exhibition at ISMB combined outstanding beauty and aesthetics with deep insight that perfectly validated the exhibit's approach or went beyond the problem's solution. Others were surprising and inspiring through the transition from science to art, opening eyes and minds to reflect on the work being undertaken.

EPA'S TOXICOGENOMICS PARTNERSHIPS ACROSS GOVERNMENT, ACADEMIA AND INDUSTRY

EPA Science Inventory

Genomics, proteomics and metabonomics technologies are transforming the science of toxicology, and concurrent advances in computing and informatics are providing management and analysis solutions for this onslaught of toxicogenomic data. EPA has been actively developing an intra...

Massive Data, the Digitization of Science, and Reproducibility of Results

ScienceCinema

Stodden, Victoria

2018-04-27

As the scientific enterprise becomes increasingly computational and data-driven, the nature of the information communicated must change. Without inclusion of the code and data with published computational results, we are engendering a credibility crisis in science. Controversies such as ClimateGate, the microarray-based drug sensitivity clinical trials under investigation at Duke University, and retractions from prominent journals due to unverified code suggest the need for greater transparency in our computational science. In this talk I argue that the scientific method be restored to (1) a focus on error control as central to scientific communication and (2) complete communication of the underlying methodology producing the results, ie. reproducibility. I outline barriers to these goals based on recent survey work (Stodden 2010), and suggest solutions such as the “Reproducible Research Standard” (Stodden 2009), giving open licensing options designed to create an intellectual property framework for scientists consonant with longstanding scientific norms.

Progress on the FabrIc for Frontier Experiments project at Fermilab

DOE PAGES

Box, Dennis; Boyd, Joseph; Dykstra, Dave; ...

2015-12-23

The FabrIc for Frontier Experiments (FIFE) project is an ambitious, major-impact initiative within the Fermilab Scientific Computing Division designed to lead the computing model for Fermilab experiments. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying needs and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of Open Science Grid solutions for high throughput computing, data management, database access and collaboration within experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid sites along with dedicated and commercialmore » cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including new job submission services, software and reference data distribution through CVMFS repositories, flexible data transfer client, and access to opportunistic resources on the Open Science Grid. Hence, the progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken a leading role in the definition of the computing model for Fermilab experiments, aided in the design of computing for experiments beyond Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide« less

Apollo experience report: Apollo lunar surface experiments package data processing system

NASA Technical Reports Server (NTRS)

Eason, R. L.

1974-01-01

Apollo Program experience in the processing of scientific data from the Apollo lunar surface experiments package, in which computers and associated hardware and software were used, is summarized. The facility developed for the preprocessing of the lunar science data is described, as are several computer facilities and programs used by the Principal Investigators. The handling, processing, and analyzing of lunar science data and the interface with the Principal Investigators are discussed. Pertinent problems that arose in the development of the data processing schemes are discussed so that future programs may benefit from the solutions to the problems. The evolution of the data processing techniques for lunar science data related to recommendations for future programs of this type.

Assessment of Computational Fluid Dynamics (CFD) Models for Shock Boundary-Layer Interaction

NASA Technical Reports Server (NTRS)

DeBonis, James R.; Oberkampf, William L.; Wolf, Richard T.; Orkwis, Paul D.; Turner, Mark G.; Babinsky, Holger

2011-01-01

A workshop on the computational fluid dynamics (CFD) prediction of shock boundary-layer interactions (SBLIs) was held at the 48th AIAA Aerospace Sciences Meeting. As part of the workshop numerous CFD analysts submitted solutions to four experimentally measured SBLIs. This paper describes the assessment of the CFD predictions. The assessment includes an uncertainty analysis of the experimental data, the definition of an error metric and the application of that metric to the CFD solutions. The CFD solutions provided very similar levels of error and in general it was difficult to discern clear trends in the data. For the Reynolds Averaged Navier-Stokes methods the choice of turbulence model appeared to be the largest factor in solution accuracy. Large-eddy simulation methods produced error levels similar to RANS methods but provided superior predictions of normal stresses.

Network-based approaches to climate knowledge discovery

NASA Astrophysics Data System (ADS)

Budich, Reinhard; Nyberg, Per; Weigel, Tobias

2011-11-01

Climate Knowledge Discovery Workshop; Hamburg, Germany, 30 March to 1 April 2011 Do complex networks combined with semantic Web technologies offer the next generation of solutions in climate science? To address this question, a first Climate Knowledge Discovery (CKD) Workshop, hosted by the German Climate Computing Center (Deutsches Klimarechenzentrum (DKRZ)), brought together climate and computer scientists from major American and European laboratories, data centers, and universities, as well as representatives from industry, the broader academic community, and the semantic Web communities. The participants, representing six countries, were concerned with large-scale Earth system modeling and computational data analysis. The motivation for the meeting was the growing problem that climate scientists generate data faster than it can be interpreted and the need to prepare for further exponential data increases. Current analysis approaches are focused primarily on traditional methods, which are best suited for large-scale phenomena and coarse-resolution data sets. The workshop focused on the open discussion of ideas and technologies to provide the next generation of solutions to cope with the increasing data volumes in climate science.

Future opportunities and trends for e-infrastructures and life sciences: going beyond the grid to enable life science data analysis

PubMed Central

Duarte, Afonso M. S.; Psomopoulos, Fotis E.; Blanchet, Christophe; Bonvin, Alexandre M. J. J.; Corpas, Manuel; Franc, Alain; Jimenez, Rafael C.; de Lucas, Jesus M.; Nyrönen, Tommi; Sipos, Gergely; Suhr, Stephanie B.

2015-01-01

With the increasingly rapid growth of data in life sciences we are witnessing a major transition in the way research is conducted, from hypothesis-driven studies to data-driven simulations of whole systems. Such approaches necessitate the use of large-scale computational resources and e-infrastructures, such as the European Grid Infrastructure (EGI). EGI, one of key the enablers of the digital European Research Area, is a federation of resource providers set up to deliver sustainable, integrated and secure computing services to European researchers and their international partners. Here we aim to provide the state of the art of Grid/Cloud computing in EU research as viewed from within the field of life sciences, focusing on key infrastructures and projects within the life sciences community. Rather than focusing purely on the technical aspects underlying the currently provided solutions, we outline the design aspects and key characteristics that can be identified across major research approaches. Overall, we aim to provide significant insights into the road ahead by establishing ever-strengthening connections between EGI as a whole and the life sciences community. PMID:26157454

Trinity to Trinity 1945-2015

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

Moniz, Ernest; Carr, Alan; Bethe, Hans

The Trinity Test of July 16, 1945 was the first full-scale, real-world test of a nuclear weapon; with the new Trinity supercomputer Los Alamos National Laboratory's goal is to do this virtually, in 3D. Trinity was the culmination of a fantastic effort of groundbreaking science and engineering by hundreds of men and women at Los Alamos and other Manhattan Project sites. It took them less than two years to change the world. The Laboratory is marking the 70th anniversary of the Trinity Test because it not only ushered in the Nuclear Age, but with it the origin of today’s advancedmore » supercomputing. We live in the Age of Supercomputers due in large part to nuclear weapons science here at Los Alamos. National security science, and nuclear weapons science in particular, at Los Alamos National Laboratory have provided a key motivation for the evolution of large-scale scientific computing. Beginning with the Manhattan Project there has been a constant stream of increasingly significant, complex problems in nuclear weapons science whose timely solutions demand larger and faster computers. The relationship between national security science at Los Alamos and the evolution of computing is one of interdependence.« less

Future opportunities and trends for e-infrastructures and life sciences: going beyond the grid to enable life science data analysis.

PubMed

Duarte, Afonso M S; Psomopoulos, Fotis E; Blanchet, Christophe; Bonvin, Alexandre M J J; Corpas, Manuel; Franc, Alain; Jimenez, Rafael C; de Lucas, Jesus M; Nyrönen, Tommi; Sipos, Gergely; Suhr, Stephanie B

2015-01-01

With the increasingly rapid growth of data in life sciences we are witnessing a major transition in the way research is conducted, from hypothesis-driven studies to data-driven simulations of whole systems. Such approaches necessitate the use of large-scale computational resources and e-infrastructures, such as the European Grid Infrastructure (EGI). EGI, one of key the enablers of the digital European Research Area, is a federation of resource providers set up to deliver sustainable, integrated and secure computing services to European researchers and their international partners. Here we aim to provide the state of the art of Grid/Cloud computing in EU research as viewed from within the field of life sciences, focusing on key infrastructures and projects within the life sciences community. Rather than focusing purely on the technical aspects underlying the currently provided solutions, we outline the design aspects and key characteristics that can be identified across major research approaches. Overall, we aim to provide significant insights into the road ahead by establishing ever-strengthening connections between EGI as a whole and the life sciences community.

Trinity to Trinity 1945-2015

ScienceCinema

Moniz, Ernest; Carr, Alan; Bethe, Hans; Morrison, Phillip; Ramsay, Norman; Teller, Edward; Brixner, Berlyn; Archer, Bill; Agnew, Harold; Morrison, John

2018-01-16

The Trinity Test of July 16, 1945 was the first full-scale, real-world test of a nuclear weapon; with the new Trinity supercomputer Los Alamos National Laboratory's goal is to do this virtually, in 3D. Trinity was the culmination of a fantastic effort of groundbreaking science and engineering by hundreds of men and women at Los Alamos and other Manhattan Project sites. It took them less than two years to change the world. The Laboratory is marking the 70th anniversary of the Trinity Test because it not only ushered in the Nuclear Age, but with it the origin of today’s advanced supercomputing. We live in the Age of Supercomputers due in large part to nuclear weapons science here at Los Alamos. National security science, and nuclear weapons science in particular, at Los Alamos National Laboratory have provided a key motivation for the evolution of large-scale scientific computing. Beginning with the Manhattan Project there has been a constant stream of increasingly significant, complex problems in nuclear weapons science whose timely solutions demand larger and faster computers. The relationship between national security science at Los Alamos and the evolution of computing is one of interdependence.

Management and Analysis of Biological and Clinical Data: How Computer Science May Support Biomedical and Clinical Research

NASA Astrophysics Data System (ADS)

Veltri, Pierangelo

The use of computer based solutions for data management in biology and clinical science has contributed to improve life-quality and also to gather research results in shorter time. Indeed, new algorithms and high performance computation have been using in proteomics and genomics studies for curing chronic diseases (e.g., drug designing) as well as supporting clinicians both in diagnosis (e.g., images-based diagnosis) and patient curing (e.g., computer based information analysis on information gathered from patient). In this paper we survey on examples of computer based techniques applied in both biology and clinical contexts. The reported applications are also results of experiences in real case applications at University Medical School of Catanzaro and also part of experiences of the National project Staywell SH 2.0 involving many research centers and companies aiming to study and improve citizen wellness.

The Future of Pharmaceutical Manufacturing Sciences

PubMed Central

2015-01-01

The entire pharmaceutical sector is in an urgent need of both innovative technological solutions and fundamental scientific work, enabling the production of highly engineered drug products. Commercial‐scale manufacturing of complex drug delivery systems (DDSs) using the existing technologies is challenging. This review covers important elements of manufacturing sciences, beginning with risk management strategies and design of experiments (DoE) techniques. Experimental techniques should, where possible, be supported by computational approaches. With that regard, state‐of‐art mechanistic process modeling techniques are described in detail. Implementation of materials science tools paves the way to molecular‐based processing of future DDSs. A snapshot of some of the existing tools is presented. Additionally, general engineering principles are discussed covering process measurement and process control solutions. Last part of the review addresses future manufacturing solutions, covering continuous processing and, specifically, hot‐melt processing and printing‐based technologies. Finally, challenges related to implementing these technologies as a part of future health care systems are discussed. © 2015 The Authors. Journal of Pharmaceutical Sciences published by Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci 104:3612–3638, 2015 PMID:26280993

The Future of Pharmaceutical Manufacturing Sciences.

PubMed

Rantanen, Jukka; Khinast, Johannes

2015-11-01

The entire pharmaceutical sector is in an urgent need of both innovative technological solutions and fundamental scientific work, enabling the production of highly engineered drug products. Commercial-scale manufacturing of complex drug delivery systems (DDSs) using the existing technologies is challenging. This review covers important elements of manufacturing sciences, beginning with risk management strategies and design of experiments (DoE) techniques. Experimental techniques should, where possible, be supported by computational approaches. With that regard, state-of-art mechanistic process modeling techniques are described in detail. Implementation of materials science tools paves the way to molecular-based processing of future DDSs. A snapshot of some of the existing tools is presented. Additionally, general engineering principles are discussed covering process measurement and process control solutions. Last part of the review addresses future manufacturing solutions, covering continuous processing and, specifically, hot-melt processing and printing-based technologies. Finally, challenges related to implementing these technologies as a part of future health care systems are discussed. © 2015 The Authors. Journal of Pharmaceutical Sciences published by Wiley Periodicals, Inc. and the American Pharmacists Association.

Kraus operator solutions to a fermionic master equation describing a thermal bath and their matrix representation

NASA Astrophysics Data System (ADS)

Xiang-Guo, Meng; Ji-Suo, Wang; Hong-Yi, Fan; Cheng-Wei, Xia

2016-04-01

We solve the fermionic master equation for a thermal bath to obtain its explicit Kraus operator solutions via the fermionic state approach. The normalization condition of the Kraus operators is proved. The matrix representation for these solutions is obtained, which is incongruous with the result in the book completed by Nielsen and Chuang [Quantum Computation and Quantum Information, Cambridge University Press, 2000]. As especial cases, we also present the Kraus operator solutions to master equations for describing the amplitude-decay model and the diffusion process at finite temperature. Project supported by the National Natural Science Foundation of China (Grant No. 11347026), the Natural Science Foundation of Shandong Province, China (Grant Nos. ZR2013AM012 and ZR2012AM004), and the Research Fund for the Doctoral Program and Scientific Research Project of Liaocheng University, Shandong Province, China.

Progress towards daily "swath" solutions from GRACE

NASA Astrophysics Data System (ADS)

Save, H.; Bettadpur, S. V.; Sakumura, C.

2015-12-01

The GRACE mission has provided invaluable and the only data of its kind that measures the total water column in the Earth System over the past 13 years. The GRACE solutions available from the project have been monthly average solutions. There have been attempts by several groups to produce shorter time-window solutions with different techniques. There is also an experimental quick-look GRACE solution available from CSR that implements a sliding window approach while applying variable daily data weights. All of these GRACE solutions require special handling for data assimilation. This study explores the possibility of generating a true daily GRACE solution by computing a daily "swath" total water storage (TWS) estimate from GRACE using the Tikhonov regularization and high resolution monthly mascon estimation implemented at CSR. This paper discusses the techniques for computing such a solution and discusses the error and uncertainty characterization. We perform comparisons with official RL05 GRACE solutions and with alternate mascon solutions from CSR to understand the impact on the science results. We evaluate these solutions with emphasis on the temporal characteristics of the signal content and validate them against multiple models and in-situ data sets.

Multi-Frame Convolutional Neural Networks for Object Detection in Temporal Data

DTIC Science & Technology

2017-03-01

maximum 200 words) Given the problem of detecting objects in video , existing neural-network solutions rely on a post-processing step to combine...information across frames and strengthen conclusions. This technique has been successful for videos with simple, dominant objects but it cannot detect objects...Computer Science iii THIS PAGE INTENTIONALLY LEFT BLANK iv ABSTRACT Given the problem of detecting objects in video , existing neural-network solutions rely

Spurious Solutions Of Nonlinear Differential Equations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.; Griffiths, D. F.

1992-01-01

Report utilizes nonlinear-dynamics approach to investigate possible sources of errors and slow convergence and non-convergence of steady-state numerical solutions when using time-dependent approach for problems containing nonlinear source terms. Emphasizes implications for development of algorithms in CFD and computational sciences in general. Main fundamental conclusion of study is that qualitative features of nonlinear differential equations cannot be adequately represented by finite-difference method and vice versa.

Toward a Data Scalable Solution for Facilitating Discovery of Science Resources

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

Weaver, Jesse R.; Castellana, Vito G.; Morari, Alessandro

Science is increasingly motivated by the need to process larger quantities of data. It is facing severe challenges in data collection, management, and processing, so much so that the computational demands of “data scaling” are competing with, and in many fields surpassing, the traditional objective of decreasing processing time. Example domains with large datasets include astronomy, biology, genomics, climate/weather, and material sciences. This paper presents a real-world use case in which we wish to answer queries pro- vided by domain scientists in order to facilitate discovery of relevant science resources. The problem is that the metadata for these science resourcesmore » is very large and is growing quickly, rapidly increasing the need for a data scaling solution. We propose a system – SGEM – designed for answering graph-based queries over large datasets on cluster architectures, and we re- port performance results for queries on the current RDESC dataset of nearly 1.4 billion triples, and on the well-known BSBM SPARQL query benchmark.« less

Bifurcation-based adiabatic quantum computation with a nonlinear oscillator network

PubMed Central

Goto, Hayato

2016-01-01

The dynamics of nonlinear systems qualitatively change depending on their parameters, which is called bifurcation. A quantum-mechanical nonlinear oscillator can yield a quantum superposition of two oscillation states, known as a Schrödinger cat state, via quantum adiabatic evolution through its bifurcation point. Here we propose a quantum computer comprising such quantum nonlinear oscillators, instead of quantum bits, to solve hard combinatorial optimization problems. The nonlinear oscillator network finds optimal solutions via quantum adiabatic evolution, where nonlinear terms are increased slowly, in contrast to conventional adiabatic quantum computation or quantum annealing, where quantum fluctuation terms are decreased slowly. As a result of numerical simulations, it is concluded that quantum superposition and quantum fluctuation work effectively to find optimal solutions. It is also notable that the present computer is analogous to neural computers, which are also networks of nonlinear components. Thus, the present scheme will open new possibilities for quantum computation, nonlinear science, and artificial intelligence. PMID:26899997

Infrastructure Systems for Advanced Computing in E-science applications

NASA Astrophysics Data System (ADS)

Terzo, Olivier

2013-04-01

In the e-science field are growing needs for having computing infrastructure more dynamic and customizable with a model of use "on demand" that follow the exact request in term of resources and storage capacities. The integration of grid and cloud infrastructure solutions allows us to offer services that can adapt the availability in terms of up scaling and downscaling resources. The main challenges for e-sciences domains will on implement infrastructure solutions for scientific computing that allow to adapt dynamically the demands of computing resources with a strong emphasis on optimizing the use of computing resources for reducing costs of investments. Instrumentation, data volumes, algorithms, analysis contribute to increase the complexity for applications who require high processing power and storage for a limited time and often exceeds the computational resources that equip the majority of laboratories, research Unit in an organization. Very often it is necessary to adapt or even tweak rethink tools, algorithms, and consolidate existing applications through a phase of reverse engineering in order to adapt them to a deployment on Cloud infrastructure. For example, in areas such as rainfall monitoring, meteorological analysis, Hydrometeorology, Climatology Bioinformatics Next Generation Sequencing, Computational Electromagnetic, Radio occultation, the complexity of the analysis raises several issues such as the processing time, the scheduling of tasks of processing, storage of results, a multi users environment. For these reasons, it is necessary to rethink the writing model of E-Science applications in order to be already adapted to exploit the potentiality of cloud computing services through the uses of IaaS, PaaS and SaaS layer. An other important focus is on create/use hybrid infrastructure typically a federation between Private and public cloud, in fact in this way when all resources owned by the organization are all used it will be easy with a federate cloud infrastructure to add some additional resources form the Public cloud for following the needs in term of computational and storage resources and release them where process are finished. Following the hybrid model, the scheduling approach is important for managing both cloud models. Thanks to this model infrastructure every time resources are available for additional request in term of IT capacities that can used "on demand" for a limited time without having to proceed to purchase additional servers.

Pareto Joint Inversion of Love and Quasi Rayleigh's waves - synthetic study

NASA Astrophysics Data System (ADS)

Bogacz, Adrian; Dalton, David; Danek, Tomasz; Miernik, Katarzyna; Slawinski, Michael A.

2017-04-01

In this contribution the specific application of Pareto joint inversion in solving geophysical problem is presented. Pareto criterion combine with Particle Swarm Optimization were used to solve geophysical inverse problems for Love and Quasi Rayleigh's waves. Basic theory of forward problem calculation for chosen surface waves is described. To avoid computational problems some simplification were made. This operation allowed foster and more straightforward calculation without lost of solution generality. According to the solving scheme restrictions, considered model must have exact two layers, elastic isotropic surface layer and elastic isotropic half space with infinite thickness. The aim of the inversion is to obain elastic parameters and model geometry using dispersion data. In calculations different case were considered, such as different number of modes for different wave types and different frequencies. Created solutions are using OpenMP standard for parallel computing, which help in reduction of computational times. The results of experimental computations are presented and commented. This research was performed in the context of The Geomechanics Project supported by Husky Energy. Also, this research was partially supported by the Natural Sciences and Engineering Research Council of Canada, grant 238416-2013, and by the Polish National Science Center under contract No. DEC-2013/11/B/ST10/0472.

The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science.

PubMed

Marek, A; Blum, V; Johanni, R; Havu, V; Lang, B; Auckenthaler, T; Heinecke, A; Bungartz, H-J; Lederer, H

2014-05-28

Obtaining the eigenvalues and eigenvectors of large matrices is a key problem in electronic structure theory and many other areas of computational science. The computational effort formally scales as O(N(3)) with the size of the investigated problem, N (e.g. the electron count in electronic structure theory), and thus often defines the system size limit that practical calculations cannot overcome. In many cases, more than just a small fraction of the possible eigenvalue/eigenvector pairs is needed, so that iterative solution strategies that focus only on a few eigenvalues become ineffective. Likewise, it is not always desirable or practical to circumvent the eigenvalue solution entirely. We here review some current developments regarding dense eigenvalue solvers and then focus on the Eigenvalue soLvers for Petascale Applications (ELPA) library, which facilitates the efficient algebraic solution of symmetric and Hermitian eigenvalue problems for dense matrices that have real-valued and complex-valued matrix entries, respectively, on parallel computer platforms. ELPA addresses standard as well as generalized eigenvalue problems, relying on the well documented matrix layout of the Scalable Linear Algebra PACKage (ScaLAPACK) library but replacing all actual parallel solution steps with subroutines of its own. For these steps, ELPA significantly outperforms the corresponding ScaLAPACK routines and proprietary libraries that implement the ScaLAPACK interface (e.g. Intel's MKL). The most time-critical step is the reduction of the matrix to tridiagonal form and the corresponding backtransformation of the eigenvectors. ELPA offers both a one-step tridiagonalization (successive Householder transformations) and a two-step transformation that is more efficient especially towards larger matrices and larger numbers of CPU cores. ELPA is based on the MPI standard, with an early hybrid MPI-OpenMPI implementation available as well. Scalability beyond 10,000 CPU cores for problem sizes arising in the field of electronic structure theory is demonstrated for current high-performance computer architectures such as Cray or Intel/Infiniband. For a matrix of dimension 260,000, scalability up to 295,000 CPU cores has been shown on BlueGene/P.

Leveraging e-Science infrastructure for electrochemical research.

PubMed

Peachey, Tom; Mashkina, Elena; Lee, Chong-Yong; Enticott, Colin; Abramson, David; Bond, Alan M; Elton, Darrell; Gavaghan, David J; Stevenson, Gareth P; Kennedy, Gareth F

2011-08-28

As in many scientific disciplines, modern chemistry involves a mix of experimentation and computer-supported theory. Historically, these skills have been provided by different groups, and range from traditional 'wet' laboratory science to advanced numerical simulation. Increasingly, progress is made by global collaborations, in which new theory may be developed in one part of the world and applied and tested in the laboratory elsewhere. e-Science, or cyber-infrastructure, underpins such collaborations by providing a unified platform for accessing scientific instruments, computers and data archives, and collaboration tools. In this paper we discuss the application of advanced e-Science software tools to electrochemistry research performed in three different laboratories--two at Monash University in Australia and one at the University of Oxford in the UK. We show that software tools that were originally developed for a range of application domains can be applied to electrochemical problems, in particular Fourier voltammetry. Moreover, we show that, by replacing ad-hoc manual processes with e-Science tools, we obtain more accurate solutions automatically.

Ions interacting in solution: Moving from intrinsic to collective properties

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

Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J.

A crucial determinant of Hofmeister effects is the direct interaction of ions in solution with the charged groups on the surface of larger particles. Understanding ion–ion interactions in solution is therefore a necessary first step to explaining Hofmeister effects. Here, we advocate an approach to modeling these types of properties where state of the art Ab Initio Molecular Dynamics (AIMD) simulation of ions in solution is used to establish benchmark values for the intrinsic properties of ions in solution such as solvation structures and ion–ion Potentials of Mean Force (PMFs). This information can then be combined with or used to parametrize and improve reduced models, which use approximations such as the continuum solvent model.(CSM) These reduced models can then be used to calculate collective and concentration dependent properties of electrolyte solution and so make accurate predictions about complex systems of relevance for direct applications. We provide an example of this approach using AIMD calculations of the sodium chloride dimer to calculate osmotic coefficients of all 20 alkali halide electrolytes. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TD and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MSmore » $$^{3}$$ (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy.« less

Computational Sciences.

DTIC Science & Technology

1987-11-01

III. - 7 1 11 1*25 4 11 - IN, I 61I’. UNCLASSIFIED MASTER COPY - FOR REPRODUCTION PURPOSES ) C . AD-A 190 ’PORT DOCUMENTATION PAGE ~~ 190 826 lb...E uations, University of Alabama, Birmingham, *AL.-7 N. Medhin, M. Sambandham, and C . K. Zoltani, Numerical Solution to a System of Random Volterra...Sambandham, and C . K. Zoltani, "Numerical Solution to a System of Random Volterra Integral Equations I: Successive Approximation Method’,"-submitted to

Tony Magri | NREL

Science.gov Websites

Windows System Engineer with the Computational Science Center. He implements, supports, and integrates Windows-based technology solutions at the ESIF and manages a portion of the VMware infrastructure . Throughout his career, Tony has built a strong skillset in enterprise Windows Engineering and Active

TerraFERMA: The Transparent Finite Element Rapid Model Assembler for multiphysics problems in Earth sciences

NASA Astrophysics Data System (ADS)

Wilson, Cian R.; Spiegelman, Marc; van Keken, Peter E.

2017-02-01

We introduce and describe a new software infrastructure TerraFERMA, the Transparent Finite Element Rapid Model Assembler, for the rapid and reproducible description and solution of coupled multiphysics problems. The design of TerraFERMA is driven by two computational needs in Earth sciences. The first is the need for increased flexibility in both problem description and solution strategies for coupled problems where small changes in model assumptions can lead to dramatic changes in physical behavior. The second is the need for software and models that are more transparent so that results can be verified, reproduced, and modified in a manner such that the best ideas in computation and Earth science can be more easily shared and reused. TerraFERMA leverages three advanced open-source libraries for scientific computation that provide high-level problem description (FEniCS), composable solvers for coupled multiphysics problems (PETSc), and an options handling system (SPuD) that allows the hierarchical management of all model options. TerraFERMA integrates these libraries into an interface that organizes the scientific and computational choices required in a model into a single options file from which a custom compiled application is generated and run. Because all models share the same infrastructure, models become more reusable and reproducible, while still permitting the individual researcher considerable latitude in model construction. TerraFERMA solves partial differential equations using the finite element method. It is particularly well suited for nonlinear problems with complex coupling between components. TerraFERMA is open-source and available at http://terraferma.github.io, which includes links to documentation and example input files.

A review and exploration of sociotechnical ergonomics.

PubMed

Dirkse van Schalkwyk, Riaan; Steenkamp, Rigard J

2017-09-01

A holistic review of ergonomic history shows that science remains important for general occupational health and safety (OSH), the broad society, culture, politics and the design of everyday things. Science provides an unconventional and multifaceted viewpoint exploring ergonomics from a social, corporate and OSH perspective. Ergonomic solutions from this mindset may redefine the science, and it will change with companies that change within this socially hyper-connected world. Authentic corporate social responsibility will counter 'misleadership' by not approaching ergonomics with an afterthought. The review concludes that ergonomics will be stronger with social respect and ergonomic thinking based on the optimisation of anthropometric data, digital human models, computer-aided tools, self-empowerment, job enrichment, work enlargement, physiology, industrial psychology, cybernetic ergonomics, operations design, ergonomic-friendly process technologies, ergonomic empowerment, behaviour-based safety, outcome-based employee wellness and fatigue risk management solutions, to mention a few.

Design and Implementation of a Modern Automatic Deformation Monitoring System

NASA Astrophysics Data System (ADS)

Engel, Philipp; Schweimler, Björn

2016-03-01

The deformation monitoring of structures and buildings is an important task field of modern engineering surveying, ensuring the standing and reliability of supervised objects over a long period. Several commercial hardware and software solutions for the realization of such monitoring measurements are available on the market. In addition to them, a research team at the University of Applied Sciences in Neubrandenburg (NUAS) is actively developing a software package for monitoring purposes in geodesy and geotechnics, which is distributed under an open source licence and free of charge. The task of managing an open source project is well-known in computer science, but it is fairly new in a geodetic context. This paper contributes to that issue by detailing applications, frameworks, and interfaces for the design and implementation of open hardware and software solutions for sensor control, sensor networks, and data management in automatic deformation monitoring. It will be discussed how the development effort of networked applications can be reduced by using free programming tools, cloud computing technologies, and rapid prototyping methods.

Trends in computer applications in science assessment

NASA Astrophysics Data System (ADS)

Kumar, David D.; Helgeson, Stanley L.

1995-03-01

Seven computer applications to science assessment are reviewed. Conventional test administration includes record keeping, grading, and managing test banks. Multiple-choice testing involves forced selection of an answer from a menu, whereas constructed-response testing involves options for students to present their answers within a set standard deviation. Adaptive testing attempts to individualize the test to minimize the number of items and time needed to assess a student's knowledge. Figurai response testing assesses science proficiency in pictorial or graphic mode and requires the student to construct a mental image rather than selecting a response from a multiple choice menu. Simulations have been found useful for performance assessment on a large-scale basis in part because they make it possible to independently specify different aspects of a real experiment. An emerging approach to performance assessment is solution pathway analysis, which permits the analysis of the steps a student takes in solving a problem. Virtually all computer-based testing systems improve the quality and efficiency of record keeping and data analysis.

Reaching for the cloud: on the lessons learned from grid computing technology transfer process to the biomedical community.

PubMed

Mohammed, Yassene; Dickmann, Frank; Sax, Ulrich; von Voigt, Gabriele; Smith, Matthew; Rienhoff, Otto

2010-01-01

Natural scientists such as physicists pioneered the sharing of computing resources, which led to the creation of the Grid. The inter domain transfer process of this technology has hitherto been an intuitive process without in depth analysis. Some difficulties facing the life science community in this transfer can be understood using the Bozeman's "Effectiveness Model of Technology Transfer". Bozeman's and classical technology transfer approaches deal with technologies which have achieved certain stability. Grid and Cloud solutions are technologies, which are still in flux. We show how Grid computing creates new difficulties in the transfer process that are not considered in Bozeman's model. We show why the success of healthgrids should be measured by the qualified scientific human capital and the opportunities created, and not primarily by the market impact. We conclude with recommendations that can help improve the adoption of Grid and Cloud solutions into the biomedical community. These results give a more concise explanation of the difficulties many life science IT projects are facing in the late funding periods, and show leveraging steps that can help overcoming the "vale of tears".

Exact traveling wave solutions of fractional order Boussinesq-like equations by applying Exp-function method

NASA Astrophysics Data System (ADS)

Rahmatullah; Ellahi, Rahmat; Mohyud-Din, Syed Tauseef; Khan, Umar

2018-03-01

We have computed new exact traveling wave solutions, including complex solutions of fractional order Boussinesq-Like equations, occurring in physical sciences and engineering, by applying Exp-function method. The method is blended with fractional complex transformation and modified Riemann-Liouville fractional order operator. Our obtained solutions are verified by substituting back into their corresponding equations. To the best of our knowledge, no other technique has been reported to cope with the said fractional order nonlinear problems combined with variety of exact solutions. Graphically, fractional order solution curves are shown to be strongly related to each other and most importantly, tend to fixate on their integer order solution curve. Our solutions comprise high frequencies and very small amplitude of the wave responses.

AIA Honors Imaginative Solutions to Common Campus Problems.

ERIC Educational Resources Information Center

Chronicle of Higher Education, 1987

1987-01-01

The American Institute of Architects honored five recently completed university buildings whose architects solved the difficulties of site and scale: Columbia University's Computer Science Building, Dartmouth's Hood Museum of Art, Emory's Museum of Art, Princeton's Lewis Thomas Laboratory, and the University of California at Irvine's Computer…

Growth Potential

ERIC Educational Resources Information Center

Barry, Dana M.

2004-01-01

Students enjoy carrying out an exciting and challenging research project that combines science with computers and mathematics to investigate how polyacrylate animals change in size over time when placed in water and aqueous salt solutions. The hands-on activity motivates students and provides them with the necessary skills and information to have…

Laser Light: Using Laser Refractometry to Determine Concentration.

ERIC Educational Resources Information Center

Gauger, Robert

1995-01-01

Laser refractometry is a science-technology-based activity that requires students to manipulate a variety of equipment, tools, materials, and critical-thinking skills. Students use a laser to measure the percent of glucose in a solution by calibrating the system, taking measurements, and computing the concentration. (MKR)

Freezing point depression in model Lennard-Jones solutions

NASA Astrophysics Data System (ADS)

Koschke, Konstantin; Jörg Limbach, Hans; Kremer, Kurt; Donadio, Davide

2015-09-01

Crystallisation of liquid solutions is of uttermost importance in a wide variety of processes in materials, atmospheric and food science. Depending on the type and concentration of solutes the freezing point shifts, thus allowing control on the thermodynamics of complex fluids. Here we investigate the basic principles of solute-induced freezing point depression by computing the melting temperature of a Lennard-Jones fluid with low concentrations of solutes, by means of equilibrium molecular dynamics simulations. The effect of solvophilic and weakly solvophobic solutes at low concentrations is analysed, scanning systematically the size and the concentration. We identify the range of parameters that produce deviations from the linear dependence of the freezing point on the molal concentration of solutes, expected for ideal solutions. Our simulations allow us also to link the shifts in coexistence temperature to the microscopic structure of the solutions.

BEYSIK: Language description and handbook for programmers (system for the collective use of the Institute of Space Research, Academy of Sciences USSR)

NASA Technical Reports Server (NTRS)

Orlov, I. G.

1979-01-01

The BASIC algorithmic language is described, and a guide is presented for the programmer using the language interpreter. The high-level algorithm BASIC is a problem-oriented programming language intended for solution of computational and engineering problems.

Dynamic Learning Style Prediction Method Based on a Pattern Recognition Technique

ERIC Educational Resources Information Center

Yang, Juan; Huang, Zhi Xing; Gao, Yue Xiang; Liu, Hong Tao

2014-01-01

During the past decade, personalized e-learning systems and adaptive educational hypermedia systems have attracted much attention from researchers in the fields of computer science Aand education. The integration of learning styles into an intelligent system is a possible solution to the problems of "learning deviation" and…

Frameworks Coordinate Scientific Data Management

NASA Technical Reports Server (NTRS)

2012-01-01

Jet Propulsion Laboratory computer scientists developed a unique software framework to help NASA manage its massive amounts of science data. Through a partnership with the Apache Software Foundation of Forest Hill, Maryland, the technology is now available as an open-source solution and is in use by cancer researchers and pediatric hospitals.

Introductory Programming Subject in European Higher Education

ERIC Educational Resources Information Center

Aleksic, Veljko; Ivanovic, Mirjana

2016-01-01

Programming is one of the basic subjects in most informatics, computer science mathematics and technical faculties' curricula. Integrated overview of the models for teaching programming, problems in teaching and suggested solutions were presented in this paper. Research covered current state of 1019 programming subjects in 715 study programmes at…

Development and application of unified algorithms for problems in computational science

NASA Technical Reports Server (NTRS)

Shankar, Vijaya; Chakravarthy, Sukumar

1987-01-01

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Geocomputation over Hybrid Computer Architecture and Systems: Prior Works and On-going Initiatives at UARK

NASA Astrophysics Data System (ADS)

Shi, X.

2015-12-01

As NSF indicated - "Theory and experimentation have for centuries been regarded as two fundamental pillars of science. It is now widely recognized that computational and data-enabled science forms a critical third pillar." Geocomputation is the third pillar of GIScience and geosciences. With the exponential growth of geodata, the challenge of scalable and high performance computing for big data analytics become urgent because many research activities are constrained by the inability of software or tool that even could not complete the computation process. Heterogeneous geodata integration and analytics obviously magnify the complexity and operational time frame. Many large-scale geospatial problems may be not processable at all if the computer system does not have sufficient memory or computational power. Emerging computer architectures, such as Intel's Many Integrated Core (MIC) Architecture and Graphics Processing Unit (GPU), and advanced computing technologies provide promising solutions to employ massive parallelism and hardware resources to achieve scalability and high performance for data intensive computing over large spatiotemporal and social media data. Exploring novel algorithms and deploying the solutions in massively parallel computing environment to achieve the capability for scalable data processing and analytics over large-scale, complex, and heterogeneous geodata with consistent quality and high-performance has been the central theme of our research team in the Department of Geosciences at the University of Arkansas (UARK). New multi-core architectures combined with application accelerators hold the promise to achieve scalability and high performance by exploiting task and data levels of parallelism that are not supported by the conventional computing systems. Such a parallel or distributed computing environment is particularly suitable for large-scale geocomputation over big data as proved by our prior works, while the potential of such advanced infrastructure remains unexplored in this domain. Within this presentation, our prior and on-going initiatives will be summarized to exemplify how we exploit multicore CPUs, GPUs, and MICs, and clusters of CPUs, GPUs and MICs, to accelerate geocomputation in different applications.

Identifying Key Features, Cutting Edge Cloud Resources, and Artificial Intelligence Tools to Achieve User-Friendly Water Science in the Cloud

NASA Astrophysics Data System (ADS)

Pierce, S. A.

2017-12-01

Decision making for groundwater systems is becoming increasingly important, as shifting water demands increasingly impact aquifers. As buffer systems, aquifers provide room for resilient responses and augment the actual timeframe for hydrological response. Yet the pace impacts, climate shifts, and degradation of water resources is accelerating. To meet these new drivers, groundwater science is transitioning toward the emerging field of Integrated Water Resources Management, or IWRM. IWRM incorporates a broad array of dimensions, methods, and tools to address problems that tend to be complex. Computational tools and accessible cyberinfrastructure (CI) are needed to cross the chasm between science and society. Fortunately cloud computing environments, such as the new Jetstream system, are evolving rapidly. While still targeting scientific user groups systems such as, Jetstream, offer configurable cyberinfrastructure to enable interactive computing and data analysis resources on demand. The web-based interfaces allow researchers to rapidly customize virtual machines, modify computing architecture and increase the usability and access for broader audiences to advanced compute environments. The result enables dexterous configurations and opening up opportunities for IWRM modelers to expand the reach of analyses, number of case studies, and quality of engagement with stakeholders and decision makers. The acute need to identify improved IWRM solutions paired with advanced computational resources refocuses the attention of IWRM researchers on applications, workflows, and intelligent systems that are capable of accelerating progress. IWRM must address key drivers of community concern, implement transdisciplinary methodologies, adapt and apply decision support tools in order to effectively support decisions about groundwater resource management. This presentation will provide an overview of advanced computing services in the cloud using integrated groundwater management case studies to highlight how Cloud CI streamlines the process for setting up an interactive decision support system. Moreover, advances in artificial intelligence offer new techniques for old problems from integrating data to adaptive sensing or from interactive dashboards to optimizing multi-attribute problems. The combination of scientific expertise, flexible cloud computing solutions, and intelligent systems opens new research horizons.

Nuclear Fuel Depletion Analysis Using Matlab Software

NASA Astrophysics Data System (ADS)

Faghihi, F.; Nematollahi, M. R.

Coupled first order IVPs are frequently used in many parts of engineering and sciences. In this article, we presented a code including three computer programs which are joint with the Matlab software to solve and plot the solutions of the first order coupled stiff or non-stiff IVPs. Some engineering and scientific problems related to IVPs are given and fuel depletion (production of the 239Pu isotope) in a Pressurized Water Nuclear Reactor (PWR) are computed by the present code.

Dynamical approach study of spurious steady-state numerical solutions of nonlinear differential equations. Part 1: The ODE connection and its implications for algorithm development in computational fluid dynamics

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.; Griffiths, D. F.

1990-01-01

Spurious stable as well as unstable steady state numerical solutions, spurious asymptotic numerical solutions of higher period, and even stable chaotic behavior can occur when finite difference methods are used to solve nonlinear differential equations (DE) numerically. The occurrence of spurious asymptotes is independent of whether the DE possesses a unique steady state or has additional periodic solutions and/or exhibits chaotic phenomena. The form of the nonlinear DEs and the type of numerical schemes are the determining factor. In addition, the occurrence of spurious steady states is not restricted to the time steps that are beyond the linearized stability limit of the scheme. In many instances, it can occur below the linearized stability limit. Therefore, it is essential for practitioners in computational sciences to be knowledgeable about the dynamical behavior of finite difference methods for nonlinear scalar DEs before the actual application of these methods to practical computations. It is also important to change the traditional way of thinking and practices when dealing with genuinely nonlinear problems. In the past, spurious asymptotes were observed in numerical computations but tended to be ignored because they all were assumed to lie beyond the linearized stability limits of the time step parameter delta t. As can be seen from the study, bifurcations to and from spurious asymptotic solutions and transitions to computational instability not only are highly scheme dependent and problem dependent, but also initial data and boundary condition dependent, and not limited to time steps that are beyond the linearized stability limit.

Fermilab computing at the Intensity Frontier

DOE PAGES

Group, Craig; Fuess, S.; Gutsche, O.; ...

2015-12-23

The Intensity Frontier refers to a diverse set of particle physics experiments using high- intensity beams. In this paper I will focus the discussion on the computing requirements and solutions of a set of neutrino and muon experiments in progress or planned to take place at the Fermi National Accelerator Laboratory located near Chicago, Illinois. In addition, the experiments face unique challenges, but also have overlapping computational needs. In principle, by exploiting the commonality and utilizing centralized computing tools and resources, requirements can be satisfied efficiently and scientists of individual experiments can focus more on the science and less onmore » the development of tools and infrastructure.« less

Cox process representation and inference for stochastic reaction-diffusion processes

NASA Astrophysics Data System (ADS)

Schnoerr, David; Grima, Ramon; Sanguinetti, Guido

2016-05-01

Complex behaviour in many systems arises from the stochastic interactions of spatially distributed particles or agents. Stochastic reaction-diffusion processes are widely used to model such behaviour in disciplines ranging from biology to the social sciences, yet they are notoriously difficult to simulate and calibrate to observational data. Here we use ideas from statistical physics and machine learning to provide a solution to the inverse problem of learning a stochastic reaction-diffusion process from data. Our solution relies on a non-trivial connection between stochastic reaction-diffusion processes and spatio-temporal Cox processes, a well-studied class of models from computational statistics. This connection leads to an efficient and flexible algorithm for parameter inference and model selection. Our approach shows excellent accuracy on numeric and real data examples from systems biology and epidemiology. Our work provides both insights into spatio-temporal stochastic systems, and a practical solution to a long-standing problem in computational modelling.

Advancing Capabilities for Understanding the Earth System Through Intelligent Systems, the NSF Perspective

NASA Astrophysics Data System (ADS)

Gil, Y.; Zanzerkia, E. E.; Munoz-Avila, H.

2015-12-01

The National Science Foundation (NSF) Directorate for Geosciences (GEO) and Directorate for Computer and Information Science (CISE) acknowledge the significant scientific challenges required to understand the fundamental processes of the Earth system, within the atmospheric and geospace, Earth, ocean and polar sciences, and across those boundaries. A broad view of the opportunities and directions for GEO are described in the report "Dynamic Earth: GEO imperative and Frontiers 2015-2020." Many of the aspects of geosciences research, highlighted both in this document and other community grand challenges, pose novel problems for researchers in intelligent systems. Geosciences research will require solutions for data-intensive science, advanced computational capabilities, and transformative concepts for visualizing, using, analyzing and understanding geo phenomena and data. Opportunities for the scientific community to engage in addressing these challenges are available and being developed through NSF's portfolio of investments and activities. The NSF-wide initiative, Cyberinfrastructure Framework for 21st Century Science and Engineering (CIF21), looks to accelerate research and education through new capabilities in data, computation, software and other aspects of cyberinfrastructure. EarthCube, a joint program between GEO and the Advanced Cyberinfrastructure Division, aims to create a well-connected and facile environment to share data and knowledge in an open, transparent, and inclusive manner, thus accelerating our ability to understand and predict the Earth system. EarthCube's mission opens an opportunity for collaborative research on novel information systems enhancing and supporting geosciences research efforts. NSF encourages true, collaborative partnerships between scientists in computer sciences and the geosciences to meet these challenges.

Machine learning for Big Data analytics in plants.

PubMed

Ma, Chuang; Zhang, Hao Helen; Wang, Xiangfeng

2014-12-01

Rapid advances in high-throughput genomic technology have enabled biology to enter the era of 'Big Data' (large datasets). The plant science community not only needs to build its own Big-Data-compatible parallel computing and data management infrastructures, but also to seek novel analytical paradigms to extract information from the overwhelming amounts of data. Machine learning offers promising computational and analytical solutions for the integrative analysis of large, heterogeneous and unstructured datasets on the Big-Data scale, and is gradually gaining popularity in biology. This review introduces the basic concepts and procedures of machine-learning applications and envisages how machine learning could interface with Big Data technology to facilitate basic research and biotechnology in the plant sciences. Copyright © 2014 Elsevier Ltd. All rights reserved.

Understanding dental CAD/CAM for restorations--the digital workflow from a mechanical engineering viewpoint.

PubMed

Tapie, L; Lebon, N; Mawussi, B; Fron Chabouis, H; Duret, F; Attal, J-P

2015-01-01

As digital technology infiltrates every area of daily life, including the field of medicine, so it is increasingly being introduced into dental practice. Apart from chairside practice, computer-aided design/computer-aided manufacturing (CAD/CAM) solutions are available for creating inlays, crowns, fixed partial dentures (FPDs), implant abutments, and other dental prostheses. CAD/CAM dental solutions can be considered a chain of digital devices and software for the almost automatic design and creation of dental restorations. However, dentists who want to use the technology often do not have the time or knowledge to understand it. A basic knowledge of the CAD/CAM digital workflow for dental restorations can help dentists to grasp the technology and purchase a CAM/CAM system that meets the needs of their office. This article provides a computer-science and mechanical-engineering approach to the CAD/CAM digital workflow to help dentists understand the technology.

Single-shot ultrafast tomographic imaging by spectral multiplexing

NASA Astrophysics Data System (ADS)

Matlis, N. H.; Axley, A.; Leemans, W. P.

2012-10-01

Computed tomography has profoundly impacted science, medicine and technology by using projection measurements scanned over multiple angles to permit cross-sectional imaging of an object. The application of computed tomography to moving or dynamically varying objects, however, has been limited by the temporal resolution of the technique, which is set by the time required to complete the scan. For objects that vary on ultrafast timescales, traditional scanning methods are not an option. Here we present a non-scanning method capable of resolving structure on femtosecond timescales by using spectral multiplexing of a single laser beam to perform tomographic imaging over a continuous range of angles simultaneously. We use this technique to demonstrate the first single-shot ultrafast computed tomography reconstructions and obtain previously inaccessible structure and position information for laser-induced plasma filaments. This development enables real-time tomographic imaging for ultrafast science, and offers a potential solution to the challenging problem of imaging through scattering surfaces.

seismo-live: Training in Computational Seismology using Jupyter Notebooks

NASA Astrophysics Data System (ADS)

Igel, H.; Krischer, L.; van Driel, M.; Tape, C.

2016-12-01

Practical training in computational methodologies is still underrepresented in Earth science curriculae despite the increasing use of sometimes highly sophisticated simulation technologies in research projects. At the same time well-engineered community codes make it easy to return simulation-based results yet with the danger that the inherent traps of numerical solutions are not well understood. It is our belief that training with highly simplified numerical solutions (here to the equations describing elastic wave propagation) with carefully chosen elementary ingredients of simulation technologies (e.g., finite-differencing, function interpolation, spectral derivatives, numerical integration) could substantially improve this situation. For this purpose we have initiated a community platform (www.seismo-live.org) where Python-based Jupyter notebooks can be accessed and run without and necessary downloads or local software installations. The increasingly popular Jupyter notebooks allow combining markup language, graphics, equations with interactive, executable python codes. We demonstrate the potential with training notebooks for the finite-difference method, pseudospectral methods, finite/spectral element methods, the finite-volume and the discontinuous Galerkin method. The platform already includes general Python training, introduction to the ObsPy library for seismology as well as seismic data processing and noise analysis. Submission of Jupyter notebooks for general seismology are encouraged. The platform can be used for complementary teaching in Earth Science courses on compute-intensive research areas.

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

Dress, W.B.

Rosen's modeling relation is embedded in Popper's three worlds to provide an heuristic tool for model building and a guide for thinking about complex systems. The utility of this construct is demonstrated by suggesting a solution to the problem of pseudo science and a resolution of the famous Bohr-Einstein debates. A theory of bizarre systems is presented by an analogy with entangled particles of quantum mechanics. This theory underscores the poverty of present-day computational systems (e.g., computers) for creating complex and bizarre entities by distinguishing between mechanism and organism.

Philosophy of Data: Why?

ERIC Educational Resources Information Center

Furner, Jonathan

2017-01-01

Philosophy of data should not be dismissed as a cluster of scholastic puzzles whose solutions are of limited practical value. On the contrary, philosophy of data should be recognized as constituting the core of a field of data studies that is informed by, but far from equivalent to, statistics, computer science, and library and information studies.

Tapping into the Intellectual Capital at the University

ERIC Educational Resources Information Center

Griffith, Mary

2017-01-01

Content and Language Integrated Learning (CLIL) is as full of challenges as it is of possibilities. We will explore the challenges while seeking realistic solutions as eight Computer Science professors teach their subjects through English for the first time. We hope to gain insights into the bilingual classroom at the university level where…

Become a Star: Teaching the Process of Design and Implementation of an Intelligent System

ERIC Educational Resources Information Center

Venables, Anne; Tan, Grace

2005-01-01

Teaching future knowledge engineers, the necessary skills for designing and implementing intelligent software solutions required by business, industry and research today, is a very tall order. These skills are not easily taught in traditional undergraduate computer science lectures; nor are the practical experiences easily reinforced in laboratory…

A Hands-On Approach for Teaching Denial of Service Attacks: A Case Study

ERIC Educational Resources Information Center

Trabelsi, Zouheir; Ibrahim, Walid

2013-01-01

Nowadays, many academic institutions are including ethical hacking in their information security and Computer Science programs. Information security students need to experiment common ethical hacking techniques in order to be able to implement the appropriate security solutions. This will allow them to more efficiently protect the confidentiality,…

On transferring the grid technology to the biomedical community.

PubMed

Mohammed, Yassene; Sax, Ulrich; Dickmann, Frank; Lippert, Joerg; Solodenko, Juri; von Voigt, Gabriele; Smith, Matthew; Rienhoff, Otto

2010-01-01

Natural scientists such as physicists pioneered the sharing of computing resources, which resulted in the Grid. The inter domain transfer process of this technology has been an intuitive process. Some difficulties facing the life science community can be understood using the Bozeman's "Effectiveness Model of Technology Transfer". Bozeman's and classical technology transfer approaches deal with technologies that have achieved certain stability. Grid and Cloud solutions are technologies that are still in flux. We illustrate how Grid computing creates new difficulties for the technology transfer process that are not considered in Bozeman's model. We show why the success of health Grids should be measured by the qualified scientific human capital and opportunities created, and not primarily by the market impact. With two examples we show how the Grid technology transfer theory corresponds to the reality. We conclude with recommendations that can help improve the adoption of Grid solutions into the biomedical community. These results give a more concise explanation of the difficulties most life science IT projects are facing in the late funding periods, and show some leveraging steps which can help to overcome the "vale of tears".

Overview of Aro Program on Network Science for Human Decision Making

NASA Astrophysics Data System (ADS)

West, Bruce J.

This program brings together researchers from disparate disciplines to work on a complex research problem that defies confinement within any single discipline. Consequently, not only are new and rewarding solutions sought and obtained for a problem of importance to society and the Army, that is, the human dimension of complex networks, but, in addition, collaborations are established that would not otherwise have formed given the traditional disciplinary compartmentalization of research. This program develops the basic research foundation of a science of networks supporting the linkage between the physical and human (cognitive and social) domains as they relate to human decision making. The strategy is to extend the recent methods of non-equilibrium statistical physics to non-stationary, renewal stochastic processes that appear to be characteristic of the interactions among nodes in complex networks. We also pursue understanding of the phenomenon of synchronization, whose mathematical formulation has recently provided insight into how complex networks reach accommodation and cooperation. The theoretical analyses of complex networks, although mathematically rigorous, often elude analytic solutions and require computer simulation and computation to analyze the underlying dynamic process.

Development of AN Open-Source Automatic Deformation Monitoring System for Geodetical and Geotechnical Measurements

NASA Astrophysics Data System (ADS)

Engel, P.; Schweimler, B.

2016-04-01

The deformation monitoring of structures and buildings is an important task field of modern engineering surveying, ensuring the standing and reliability of supervised objects over a long period. Several commercial hardware and software solutions for the realization of such monitoring measurements are available on the market. In addition to them, a research team at the Neubrandenburg University of Applied Sciences (NUAS) is actively developing a software package for monitoring purposes in geodesy and geotechnics, which is distributed under an open source licence and free of charge. The task of managing an open source project is well-known in computer science, but it is fairly new in a geodetic context. This paper contributes to that issue by detailing applications, frameworks, and interfaces for the design and implementation of open hardware and software solutions for sensor control, sensor networks, and data management in automatic deformation monitoring. It will be discussed how the development effort of networked applications can be reduced by using free programming tools, cloud computing technologies, and rapid prototyping methods.

Reducing the Volume of NASA Earth-Science Data

NASA Technical Reports Server (NTRS)

Lee, Seungwon; Braverman, Amy J.; Guillaume, Alexandre

2010-01-01

A computer program reduces data generated by NASA Earth-science missions into representative clusters characterized by centroids and membership information, thereby reducing the large volume of data to a level more amenable to analysis. The program effects an autonomous data-reduction/clustering process to produce a representative distribution and joint relationships of the data, without assuming a specific type of distribution and relationship and without resorting to domain-specific knowledge about the data. The program implements a combination of a data-reduction algorithm known as the entropy-constrained vector quantization (ECVQ) and an optimization algorithm known as the differential evolution (DE). The combination of algorithms generates the Pareto front of clustering solutions that presents the compromise between the quality of the reduced data and the degree of reduction. Similar prior data-reduction computer programs utilize only a clustering algorithm, the parameters of which are tuned manually by users. In the present program, autonomous optimization of the parameters by means of the DE supplants the manual tuning of the parameters. Thus, the program determines the best set of clustering solutions without human intervention.

The FIFE Project at Fermilab

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

Box, D.; Boyd, J.; Di Benedetto, V.

2016-01-01

The FabrIc for Frontier Experiments (FIFE) project is an initiative within the Fermilab Scientific Computing Division designed to steer the computing model for non-LHC Fermilab experiments across multiple physics areas. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying size, needs, and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of solutions for high throughput computing, data management, database access and collaboration management within an experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid compute sites alongmore » with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including a common job submission service, software and reference data distribution through CVMFS repositories, flexible and robust data transfer clients, and access to opportunistic resources on the Open Science Grid. The progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken the leading role in defining the computing model for Fermilab experiments, aided in the design of experiments beyond those hosted at Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide.« less

Dynamical approach study of spurious steady-state numerical solutions of nonlinear differential equations. I - The dynamics of time discretization and its implications for algorithm development in computational fluid dynamics

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.; Griffiths, D. F.

1991-01-01

Spurious stable as well as unstable steady state numerical solutions, spurious asymptotic numerical solutions of higher period, and even stable chaotic behavior can occur when finite difference methods are used to solve nonlinear differential equations (DE) numerically. The occurrence of spurious asymptotes is independent of whether the DE possesses a unique steady state or has additional periodic solutions and/or exhibits chaotic phenomena. The form of the nonlinear DEs and the type of numerical schemes are the determining factor. In addition, the occurrence of spurious steady states is not restricted to the time steps that are beyond the linearized stability limit of the scheme. In many instances, it can occur below the linearized stability limit. Therefore, it is essential for practitioners in computational sciences to be knowledgeable about the dynamical behavior of finite difference methods for nonlinear scalar DEs before the actual application of these methods to practical computations. It is also important to change the traditional way of thinking and practices when dealing with genuinely nonlinear problems. In the past, spurious asymptotes were observed in numerical computations but tended to be ignored because they all were assumed to lie beyond the linearized stability limits of the time step parameter delta t. As can be seen from the study, bifurcations to and from spurious asymptotic solutions and transitions to computational instability not only are highly scheme dependent and problem dependent, but also initial data and boundary condition dependent, and not limited to time steps that are beyond the linearized stability limit.

Computational Cellular Dynamics Based on the Chemical Master Equation: A Challenge for Understanding Complexity

PubMed Central

Liang, Jie; Qian, Hong

2010-01-01

Modern molecular biology has always been a great source of inspiration for computational science. Half a century ago, the challenge from understanding macromolecular dynamics has led the way for computations to be part of the tool set to study molecular biology. Twenty-five years ago, the demand from genome science has inspired an entire generation of computer scientists with an interest in discrete mathematics to join the field that is now called bioinformatics. In this paper, we shall lay out a new mathematical theory for dynamics of biochemical reaction systems in a small volume (i.e., mesoscopic) in terms of a stochastic, discrete-state continuous-time formulation, called the chemical master equation (CME). Similar to the wavefunction in quantum mechanics, the dynamically changing probability landscape associated with the state space provides a fundamental characterization of the biochemical reaction system. The stochastic trajectories of the dynamics are best known through the simulations using the Gillespie algorithm. In contrast to the Metropolis algorithm, this Monte Carlo sampling technique does not follow a process with detailed balance. We shall show several examples how CMEs are used to model cellular biochemical systems. We shall also illustrate the computational challenges involved: multiscale phenomena, the interplay between stochasticity and nonlinearity, and how macroscopic determinism arises from mesoscopic dynamics. We point out recent advances in computing solutions to the CME, including exact solution of the steady state landscape and stochastic differential equations that offer alternatives to the Gilespie algorithm. We argue that the CME is an ideal system from which one can learn to understand “complex behavior” and complexity theory, and from which important biological insight can be gained. PMID:24999297

Computational Cellular Dynamics Based on the Chemical Master Equation: A Challenge for Understanding Complexity.

PubMed

Liang, Jie; Qian, Hong

2010-01-01

Modern molecular biology has always been a great source of inspiration for computational science. Half a century ago, the challenge from understanding macromolecular dynamics has led the way for computations to be part of the tool set to study molecular biology. Twenty-five years ago, the demand from genome science has inspired an entire generation of computer scientists with an interest in discrete mathematics to join the field that is now called bioinformatics. In this paper, we shall lay out a new mathematical theory for dynamics of biochemical reaction systems in a small volume (i.e., mesoscopic) in terms of a stochastic, discrete-state continuous-time formulation, called the chemical master equation (CME). Similar to the wavefunction in quantum mechanics, the dynamically changing probability landscape associated with the state space provides a fundamental characterization of the biochemical reaction system. The stochastic trajectories of the dynamics are best known through the simulations using the Gillespie algorithm. In contrast to the Metropolis algorithm, this Monte Carlo sampling technique does not follow a process with detailed balance. We shall show several examples how CMEs are used to model cellular biochemical systems. We shall also illustrate the computational challenges involved: multiscale phenomena, the interplay between stochasticity and nonlinearity, and how macroscopic determinism arises from mesoscopic dynamics. We point out recent advances in computing solutions to the CME, including exact solution of the steady state landscape and stochastic differential equations that offer alternatives to the Gilespie algorithm. We argue that the CME is an ideal system from which one can learn to understand "complex behavior" and complexity theory, and from which important biological insight can be gained.

Computational methods and traveling wave solutions for the fourth-order nonlinear Ablowitz-Kaup-Newell-Segur water wave dynamical equation via two methods and its applications

NASA Astrophysics Data System (ADS)

Ali, Asghar; Seadawy, Aly R.; Lu, Dianchen

2018-05-01

The aim of this article is to construct some new traveling wave solutions and investigate localized structures for fourth-order nonlinear Ablowitz-Kaup-Newell-Segur (AKNS) water wave dynamical equation. The simple equation method (SEM) and the modified simple equation method (MSEM) are applied in this paper to construct the analytical traveling wave solutions of AKNS equation. The different waves solutions are derived by assigning special values to the parameters. The obtained results have their importance in the field of physics and other areas of applied sciences. All the solutions are also graphically represented. The constructed results are often helpful for studying several new localized structures and the waves interaction in the high-dimensional models.

Unraveling the Complexities of Life Sciences Data.

PubMed

Higdon, Roger; Haynes, Winston; Stanberry, Larissa; Stewart, Elizabeth; Yandl, Gregory; Howard, Chris; Broomall, William; Kolker, Natali; Kolker, Eugene

2013-03-01

The life sciences have entered into the realm of big data and data-enabled science, where data can either empower or overwhelm. These data bring the challenges of the 5 Vs of big data: volume, veracity, velocity, variety, and value. Both independently and through our involvement with DELSA Global (Data-Enabled Life Sciences Alliance, DELSAglobal.org), the Kolker Lab ( kolkerlab.org ) is creating partnerships that identify data challenges and solve community needs. We specialize in solutions to complex biological data challenges, as exemplified by the community resource of MOPED (Model Organism Protein Expression Database, MOPED.proteinspire.org ) and the analysis pipeline of SPIRE (Systematic Protein Investigative Research Environment, PROTEINSPIRE.org ). Our collaborative work extends into the computationally intensive tasks of analysis and visualization of millions of protein sequences through innovative implementations of sequence alignment algorithms and creation of the Protein Sequence Universe tool (PSU). Pushing into the future together with our collaborators, our lab is pursuing integration of multi-omics data and exploration of biological pathways, as well as assigning function to proteins and porting solutions to the cloud. Big data have come to the life sciences; discovering the knowledge in the data will bring breakthroughs and benefits.

An infrastructure for the integration of geoscience instruments and sensors on the Grid

NASA Astrophysics Data System (ADS)

Pugliese, R.; Prica, M.; Kourousias, G.; Del Linz, A.; Curri, A.

2009-04-01

The Grid, as a computing paradigm, has long been in the attention of both academia and industry[1]. The distributed and expandable nature of its general architecture result to scalability and more efficient utilisation of the computing infrastructures. The scientific community, including that of geosciences, often handles problems with very high requirements in data processing, transferring, and storing[2,3]. This has raised the interest on Grid technologies but these are often viewed solely as an access gateway to HPC. Suitable Grid infrastructures could provide the geoscience community with additional benefits like those of sharing, remote access and control of scientific systems. These systems can be scientific instruments, sensors, robots, cameras and any other device used in geosciences. The solution for practical, general, and feasible Grid-enabling of such devices requires non-intrusive extensions on core parts of the current Grid architecture. We propose an extended version of an architecture[4] that can serve as the solution to the problem. The solution we propose is called Grid Instrument Element (IE) [5]. It is an addition to the existing core Grid parts; the Computing Element (CE) and the Storage Element (SE) that serve the purposes that their name suggests. The IE that we will be referring to, and the related technologies have been developed in the EU project on the Deployment of Remote Instrumentation Infrastructure (DORII1). In DORII, partners of various scientific communities including those of Earthquake, Environmental science, and Experimental science, have adopted the technology of the Instrument Element in order to integrate to the Grid their devices. The Oceanographic and coastal observation and modelling Mediterranean Ocean Observing Network (OGS2), a DORII partner, is in the process of deploying the above mentioned Grid technologies on two types of observational modules: Argo profiling floats and a novel Autonomous Underwater Vehicle (AUV). In this paper i) we define the need for integration of instrumentation in the Grid, ii) we introduce the solution of the Instrument Element, iii) we demonstrate a suitable end-user web portal for accessing Grid resources, iv) we describe from the Grid-technological point of view the process of the integration to the Grid of two advanced environmental monitoring devices. References [1] M. Surridge, S. Taylor, D. De Roure, and E. Zaluska, "Experiences with GRIA—Industrial Applications on a Web Services Grid," e-Science and Grid Computing, First International Conference on e-Science and Grid Computing, 2005, pp. 98-105. [2] A. Chervenak, I. Foster, C. Kesselman, C. Salisbury, and S. Tuecke, "The data grid: Towards an architecture for the distributed management and analysis of large scientific datasets," Journal of Network and Computer Applications, vol. 23, 2000, pp. 187-200. [3] B. Allcock, J. Bester, J. Bresnahan, A.L. Chervenak, I. Foster, C. Kesselman, S. Meder, V. Nefedova, D. Quesnel, and S. Tuecke, "Data management and transfer in high-performance computational grid environments," Parallel Computing, vol. 28, 2002, pp. 749-771. [4] E. Frizziero, M. Gulmini, F. Lelli, G. Maron, A. Oh, S. Orlando, A. Petrucci, S. Squizzato, and S. Traldi, "Instrument Element: A New Grid component that Enables the Control of Remote Instrumentation," Proceedings of the Sixth IEEE International Symposium on Cluster Computing and the Grid (CCGRID'06)-Volume 00, IEEE Computer Society Washington, DC, USA, 2006. [5] R. Ranon, L. De Marco, A. Senerchia, S. Gabrielli, L. Chittaro, R. Pugliese, L. Del Cano, F. Asnicar, and M. Prica, "A Web-based Tool for Collaborative Access to Scientific Instruments in Cyberinfrastructures." 1 The DORII project is supported by the European Commission within the 7th Framework Programme (FP7/2007-2013) under grant agreement no. RI-213110. URL: http://www.dorii.eu 2 Istituto Nazionale di Oceanografia e di Geofisica Sperimentale. URL: http://www.ogs.trieste.it

A framework for multi-stakeholder decision-making and ...

EPA Pesticide Factsheets

We propose a decision-making framework to compute compromise solutions that balance conflicting priorities of multiple stakeholders on multiple objectives. In our setting, we shape the stakeholder dis-satisfaction distribution by solving a conditional-value-at-risk (CVaR) minimization problem. The CVaR problem is parameterized by a probability level that shapes the tail of the dissatisfaction distribution. The proposed approach allows us to compute a family of compromise solutions and generalizes multi-stakeholder settings previously proposed in the literature that minimize average and worst-case dissatisfactions. We use the concept of the CVaR norm to give a geometric interpretation to this problem +and use the properties of this norm to prove that the CVaR minimization problem yields Pareto optimal solutions for any choice of the probability level. We discuss a broad range of potential applications of the framework that involve complex decision-making processes. We demonstrate the developments using a biowaste facility location case study in which we seek to balance stakeholder priorities on transportation, safety, water quality, and capital costs. This manuscript describes the methodology of a new decision-making framework that computes compromise solutions that balance conflicting priorities of multiple stakeholders on multiple objectives as needed for SHC Decision Science and Support Tools project. A biowaste facility location is employed as the case study

When You Can’t Beat ’em, Join ’em: Leveraging ComplexityScience for Innovative Solutions

DTIC Science & Technology

2017-08-21

chemical reactions : • Belousov-Zhabotinskii reaction ... Engineering (ARE) Technical Interchange Meeting by: Dr. Josef Schaff, NAVAIR 4.5 DISTRIBUTION STATEMENT A • Commander’s intent: Networked Navy & the intent...Physics undergrad, software engineering jobs in comms, video games, robotics • Started NAWCAD (NADC) as a computer scientist / engineer

Aspects on Teaching/Learning with Object Oriented Programming for Entry Level Courses of Engineering.

ERIC Educational Resources Information Center

de Oliveira, Clara Amelia; Conte, Marcos Fernando; Riso, Bernardo Goncalves

This work presents a proposal for Teaching/Learning, on Object Oriented Programming for Entry Level Courses of Engineering and Computer Science, on University. The philosophy of Object Oriented Programming comes as a new pattern of solution for problems, where flexibility and reusability appears over the simple data structure and sequential…

Incorporating Prototyping and Iteration into Intervention Development: A Case Study of a Dining Hall-Based Intervention

ERIC Educational Resources Information Center

McClain, Arianna D.; Hekler, Eric B.; Gardner, Christopher D.

2013-01-01

Background: Previous research from the fields of computer science and engineering highlight the importance of an iterative design process (IDP) to create more creative and effective solutions. Objective: This study describes IDP as a new method for developing health behavior interventions and evaluates the effectiveness of a dining hall--based…

Hypermedia in the Plant Sciences: The Weed Key and Identification System/Videodisc.

ERIC Educational Resources Information Center

Ragan, Lawrence C.

1991-01-01

In cooperation with a university educational technology unit, an agronomy professor used hypercard and videodisk technology to develop a computer program for identification of 181 weed species based on user-selected characteristics. This solution was found during a search for a way to organize course content in a concise, manageable system. (MSE)

Library Automation Design for Visually Impaired People

ERIC Educational Resources Information Center

Yurtay, Nilufer; Bicil, Yucel; Celebi, Sait; Cit, Guluzar; Dural, Deniz

2011-01-01

Speech synthesis is a technology used in many different areas in computer science. This technology can bring a solution to reading activity of visually impaired people due to its text to speech conversion. Based on this problem, in this study, a system is designed needed for a visually impaired person to make use of all the library facilities in…

Reconfigurability in MDO Problem Synthesis. Part 1

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Lewis, Robert Michael

2004-01-01

Integrating autonomous disciplines into a problem amenable to solution presents a major challenge in realistic multidisciplinary design optimization (MDO). We propose a linguistic approach to MDO problem description, formulation, and solution we call reconfigurable multidisciplinary synthesis (REMS). With assistance from computer science techniques, REMS comprises an abstract language and a collection of processes that provide a means for dynamic reasoning about MDO problems in a range of contexts. The approach may be summarized as follows. Description of disciplinary data according to the rules of a grammar, followed by lexical analysis and compilation, yields basic computational components that can be assembled into various MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. The range of contexts for reasoning about MDO spans tasks from error checking and derivative computation to formulation and reformulation of optimization problem statements. In highly structured contexts, reconfigurability can mean a straightforward transformation among problem formulations with a single operation. We hope that REMS will enable experimentation with a variety of problem formulations in research environments, assist in the assembly of MDO test problems, and serve as a pre-processor in computational frameworks in production environments. This paper, Part 1 of two companion papers, discusses the fundamentals of REMS. Part 2 illustrates the methodology in more detail.

Reconfigurability in MDO Problem Synthesis. Part 2

NASA Technical Reports Server (NTRS)

Alexandrov, Natalia M.; Lewis, Robert Michael

2004-01-01

Integrating autonomous disciplines into a problem amenable to solution presents a major challenge in realistic multidisciplinary design optimization (MDO). We propose a linguistic approach to MDO problem description, formulation, and solution we call reconfigurable multidisciplinary synthesis (REMS). With assistance from computer science techniques, REMS comprises an abstract language and a collection of processes that provide a means for dynamic reasoning about MDO problems in a range of contexts. The approach may be summarized as follows. Description of disciplinary data according to the rules of a grammar, followed by lexical analysis and compilation, yields basic computational components that can be assembled into various MDO problem formulations and solution algorithms, including hybrid strategies, with relative ease. The ability to re-use the computational components is due to the special structure of the MDO problem. The range of contexts for reasoning about MDO spans tasks from error checking and derivative computation to formulation and reformulation of optimization problem statements. In highly structured contexts, reconfigurability can mean a straightforward transformation among problem formulations with a single operation. We hope that REMS will enable experimentation with a variety of problem formulations in research environments, assist in the assembly of MDO test problems, and serve as a pre-processor in computational frameworks in production environments. Part 1 of two companion papers, discusses the fundamentals of REMS. This paper, Part 2 illustrates the methodology in more detail.

Traveling front solutions to directed diffusion-limited aggregation, digital search trees, and the Lempel-Ziv data compression algorithm.

PubMed

Majumdar, Satya N

2003-08-01

We use the traveling front approach to derive exact asymptotic results for the statistics of the number of particles in a class of directed diffusion-limited aggregation models on a Cayley tree. We point out that some aspects of these models are closely connected to two different problems in computer science, namely, the digital search tree problem in data structures and the Lempel-Ziv algorithm for data compression. The statistics of the number of particles studied here is related to the statistics of height in digital search trees which, in turn, is related to the statistics of the length of the longest word formed by the Lempel-Ziv algorithm. Implications of our results to these computer science problems are pointed out.

Traveling front solutions to directed diffusion-limited aggregation, digital search trees, and the Lempel-Ziv data compression algorithm

NASA Astrophysics Data System (ADS)

Majumdar, Satya N.

2003-08-01

We use the traveling front approach to derive exact asymptotic results for the statistics of the number of particles in a class of directed diffusion-limited aggregation models on a Cayley tree. We point out that some aspects of these models are closely connected to two different problems in computer science, namely, the digital search tree problem in data structures and the Lempel-Ziv algorithm for data compression. The statistics of the number of particles studied here is related to the statistics of height in digital search trees which, in turn, is related to the statistics of the length of the longest word formed by the Lempel-Ziv algorithm. Implications of our results to these computer science problems are pointed out.

Making On-line Science Course Materials Easily Translatable and Accessible Worldwide: Challenges and Solutions

NASA Astrophysics Data System (ADS)

Adams, Wendy K.; Alhadlaq, Hisham; Malley, Christopher V.; Perkins, Katherine K.; Olson, Jonathan; Alshaya, Fahad; Alabdulkareem, Saleh; Wieman, Carl E.

2012-02-01

The PhET Interactive Simulations Project partnered with the Excellence Research Center of Science and Mathematics Education at King Saud University with the joint goal of making simulations useable worldwide. One of the main challenges of this partnership is to make PhET simulations and the website easily translatable into any language. The PhET project team overcame this challenge by creating the Translation Utility. This tool allows a person fluent in both English and another language to easily translate any of the PhET simulations and requires minimal computer expertise. In this paper we discuss the technical issues involved in this software solution, as well as the issues involved in obtaining accurate translations. We share our solutions to many of the unexpected problems we encountered that would apply generally to making on-line scientific course materials available in many different languages, including working with: languages written right-to-left, different character sets, and different conventions for expressing equations, variables, units and scientific notation.

The computationalist reformulation of the mind-body problem.

PubMed

Marchal, Bruno

2013-09-01

Computationalism, or digital mechanism, or simply mechanism, is a hypothesis in the cognitive science according to which we can be emulated by a computer without changing our private subjective feeling. We provide a weaker form of that hypothesis, weaker than the one commonly referred to in the (vast) literature and show how to recast the mind-body problem in that setting. We show that such a mechanist hypothesis does not solve the mind-body problem per se, but does help to reduce partially the mind-body problem into another problem which admits a formulation in pure arithmetic. We will explain that once we adopt the computationalist hypothesis, which is a form of mechanist assumption, we have to derive from it how our belief in the physical laws can emerge from *only* arithmetic and classical computer science. In that sense we reduce the mind-body problem to a body problem appearance in computer science, or in arithmetic. The general shape of the possible solution of that subproblem, if it exists, is shown to be closer to "Platonist or neoplatonist theology" than to the "Aristotelian theology". In Plato's theology, the physical or observable reality is only the shadow of a vaster hidden nonphysical and nonobservable, perhaps mathematical, reality. The main point is that the derivation is constructive, and it provides the technical means to derive physics from arithmetic, and this will make the computationalist hypothesis empirically testable, and thus scientific in the Popperian analysis of science. In case computationalism is wrong, the derivation leads to a procedure for measuring "our local degree of noncomputationalism". Copyright © 2013 Elsevier Ltd. All rights reserved.

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.

New Trends in E-Science: Machine Learning and Knowledge Discovery in Databases

NASA Astrophysics Data System (ADS)

Brescia, Massimo

2012-11-01

Data mining, or Knowledge Discovery in Databases (KDD), while being the main methodology to extract the scientific information contained in Massive Data Sets (MDS), needs to tackle crucial problems since it has to orchestrate complex challenges posed by transparent access to different computing environments, scalability of algorithms, reusability of resources. To achieve a leap forward for the progress of e-science in the data avalanche era, the community needs to implement an infrastructure capable of performing data access, processing and mining in a distributed but integrated context. The increasing complexity of modern technologies carried out a huge production of data, whose related warehouse management and the need to optimize analysis and mining procedures lead to a change in concept on modern science. Classical data exploration, based on local user own data storage and limited computing infrastructures, is no more efficient in the case of MDS, worldwide spread over inhomogeneous data centres and requiring teraflop processing power. In this context modern experimental and observational science requires a good understanding of computer science, network infrastructures, Data Mining, etc. i.e. of all those techniques which fall into the domain of the so called e-science (recently assessed also by the Fourth Paradigm of Science). Such understanding is almost completely absent in the older generations of scientists and this reflects in the inadequacy of most academic and research programs. A paradigm shift is needed: statistical pattern recognition, object oriented programming, distributed computing, parallel programming need to become an essential part of scientific background. A possible practical solution is to provide the research community with easy-to understand, easy-to-use tools, based on the Web 2.0 technologies and Machine Learning methodology. Tools where almost all the complexity is hidden to the final user, but which are still flexible and able to produce efficient and reliable scientific results. All these considerations will be described in the detail in the chapter. Moreover, examples of modern applications offering to a wide variety of e-science communities a large spectrum of computational facilities to exploit the wealth of available massive data sets and powerful machine learning and statistical algorithms will be also introduced.

Cloud Bursting with GlideinWMS: Means to satisfy ever increasing computing needs for Scientific Workflows

NASA Astrophysics Data System (ADS)

Mhashilkar, Parag; Tiradani, Anthony; Holzman, Burt; Larson, Krista; Sfiligoi, Igor; Rynge, Mats

2014-06-01

Scientific communities have been in the forefront of adopting new technologies and methodologies in the computing. Scientific computing has influenced how science is done today, achieving breakthroughs that were impossible to achieve several decades ago. For the past decade several such communities in the Open Science Grid (OSG) and the European Grid Infrastructure (EGI) have been using GlideinWMS to run complex application workflows to effectively share computational resources over the grid. GlideinWMS is a pilot-based workload management system (WMS) that creates on demand, a dynamically sized overlay HTCondor batch system on grid resources. At present, the computational resources shared over the grid are just adequate to sustain the computing needs. We envision that the complexity of the science driven by "Big Data" will further push the need for computational resources. To fulfill their increasing demands and/or to run specialized workflows, some of the big communities like CMS are investigating the use of cloud computing as Infrastructure-As-A-Service (IAAS) with GlideinWMS as a potential alternative to fill the void. Similarly, communities with no previous access to computing resources can use GlideinWMS to setup up a batch system on the cloud infrastructure. To enable this, the architecture of GlideinWMS has been extended to enable support for interfacing GlideinWMS with different Scientific and commercial cloud providers like HLT, FutureGrid, FermiCloud and Amazon EC2. In this paper, we describe a solution for cloud bursting with GlideinWMS. The paper describes the approach, architectural changes and lessons learned while enabling support for cloud infrastructures in GlideinWMS.

Cloud Bursting with GlideinWMS: Means to satisfy ever increasing computing needs for Scientific Workflows

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

Mhashilkar, Parag; Tiradani, Anthony; Holzman, Burt

Scientific communities have been in the forefront of adopting new technologies and methodologies in the computing. Scientific computing has influenced how science is done today, achieving breakthroughs that were impossible to achieve several decades ago. For the past decade several such communities in the Open Science Grid (OSG) and the European Grid Infrastructure (EGI) have been using GlideinWMS to run complex application workflows to effectively share computational resources over the grid. GlideinWMS is a pilot-based workload management system (WMS) that creates on demand, a dynamically sized overlay HTCondor batch system on grid resources. At present, the computational resources shared overmore » the grid are just adequate to sustain the computing needs. We envision that the complexity of the science driven by 'Big Data' will further push the need for computational resources. To fulfill their increasing demands and/or to run specialized workflows, some of the big communities like CMS are investigating the use of cloud computing as Infrastructure-As-A-Service (IAAS) with GlideinWMS as a potential alternative to fill the void. Similarly, communities with no previous access to computing resources can use GlideinWMS to setup up a batch system on the cloud infrastructure. To enable this, the architecture of GlideinWMS has been extended to enable support for interfacing GlideinWMS with different Scientific and commercial cloud providers like HLT, FutureGrid, FermiCloud and Amazon EC2. In this paper, we describe a solution for cloud bursting with GlideinWMS. The paper describes the approach, architectural changes and lessons learned while enabling support for cloud infrastructures in GlideinWMS.« less

The neural and computational bases of semantic cognition.

PubMed

Ralph, Matthew A Lambon; Jefferies, Elizabeth; Patterson, Karalyn; Rogers, Timothy T

2017-01-01

Semantic cognition refers to our ability to use, manipulate and generalize knowledge that is acquired over the lifespan to support innumerable verbal and non-verbal behaviours. This Review summarizes key findings and issues arising from a decade of research into the neurocognitive and neurocomputational underpinnings of this ability, leading to a new framework that we term controlled semantic cognition (CSC). CSC offers solutions to long-standing queries in philosophy and cognitive science, and yields a convergent framework for understanding the neural and computational bases of healthy semantic cognition and its dysfunction in brain disorders.

Open Science in the Cloud: Towards a Universal Platform for Scientific and Statistical Computing

NASA Astrophysics Data System (ADS)

Chine, Karim

The UK, through the e-Science program, the US through the NSF-funded cyber infrastructure and the European Union through the ICT Calls aimed to provide "the technological solution to the problem of efficiently connecting data, computers, and people with the goal of enabling derivation of novel scientific theories and knowledge".1 The Grid (Foster, 2002; Foster; Kesselman, Nick, & Tuecke, 2002), foreseen as a major accelerator of discovery, didn't meet the expectations it had excited at its beginnings and was not adopted by the broad population of research professionals. The Grid is a good tool for particle physicists and it has allowed them to tackle the tremendous computational challenges inherent to their field. However, as a technology and paradigm for delivering computing on demand, it doesn't work and it can't be fixed. On one hand, "the abstractions that Grids expose - to the end-user, to the deployers and to application developers - are inappropriate and they need to be higher level" (Jha, Merzky, & Fox), and on the other hand, academic Grids are inherently economically unsustainable. They can't compete with a service outsourced to the Industry whose quality and price would be driven by market forces. The virtualization technologies and their corollary, the Infrastructure-as-a-Service (IaaS) style cloud, hold the promise to enable what the Grid failed to deliver: a sustainable environment for computational sciences that would lower the barriers for accessing federated computational resources, software tools and data; enable collaboration and resources sharing and provide the building blocks of a ubiquitous platform for traceable and reproducible computational research.

The fusion code XGC: Enabling kinetic study of multi-scale edge turbulent transport in ITER [Book Chapter

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

D'Azevedo, Eduardo; Abbott, Stephen; Koskela, Tuomas

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning for balancing computational work in pushing particlesmore » and in grid related work, scalable and accurate discretization algorithms for non-linear Coulomb collisions, and communication-avoiding subcycling technology for pushing particles on both CPUs and GPUs are also utilized to dramatically improve the scalability and time-to-solution, hence enabling the difficult kinetic ITER edge simulation on a present-day leadership class computer.« less

Application of Psychological Theories in Agent-Based Modeling: The Case of the Theory of Planned Behavior.

PubMed

Scalco, Andrea; Ceschi, Andrea; Sartori, Riccardo

2018-01-01

It is likely that computer simulations will assume a greater role in the next future to investigate and understand reality (Rand & Rust, 2011). Particularly, agent-based models (ABMs) represent a method of investigation of social phenomena that blend the knowledge of social sciences with the advantages of virtual simulations. Within this context, the development of algorithms able to recreate the reasoning engine of autonomous virtual agents represents one of the most fragile aspects and it is indeed crucial to establish such models on well-supported psychological theoretical frameworks. For this reason, the present work discusses the application case of the theory of planned behavior (TPB; Ajzen, 1991) in the context of agent-based modeling: It is argued that this framework might be helpful more than others to develop a valid representation of human behavior in computer simulations. Accordingly, the current contribution considers issues related with the application of the model proposed by the TPB inside computer simulations and suggests potential solutions with the hope to contribute to shorten the distance between the fields of psychology and computer science.

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

EduCloud: PaaS versus IaaS Cloud Usage for an Advanced Computer Science Course

ERIC Educational Resources Information Center

Vaquero, L. M.

2011-01-01

The cloud has become a widely used term in academia and the industry. Education has not remained unaware of this trend, and several educational solutions based on cloud technologies are already in place, especially for software as a service cloud. However, an evaluation of the educational potential of infrastructure and platform clouds has not…

Seeing around a Ball: Complex, Technology-Based Problems in Calculus with Applications in Science and Engineering-Redux

ERIC Educational Resources Information Center

Winkel, Brian

2008-01-01

A complex technology-based problem in visualization and computation for students in calculus is presented. Strategies are shown for its solution and the opportunities for students to put together sequences of concepts and skills to build for success are highlighted. The problem itself involves placing an object under water in order to actually see…

Dark Side of Information Systems and Protection of Children Online: Examining Predatory Behavior and Victimization of Children within Social Media

ERIC Educational Resources Information Center

Albert, Connie S.

2014-01-01

Protecting children online from sexual predators has been a focus of research in psychiatry, sociology, computer science, and information systems (IS) for many years. However, the anonymity afforded by social media has made finding a solution to the problem of child protection difficult. Pedophiles manipulate conversation (discourse) with children…

Computational and Statistical Models: A Comparison for Policy Modeling of Childhood Obesity

NASA Astrophysics Data System (ADS)

Mabry, Patricia L.; Hammond, Ross; Ip, Edward Hak-Sing; Huang, Terry T.-K.

As systems science methodologies have begun to emerge as a set of innovative approaches to address complex problems in behavioral, social science, and public health research, some apparent conflicts with traditional statistical methodologies for public health have arisen. Computational modeling is an approach set in context that integrates diverse sources of data to test the plausibility of working hypotheses and to elicit novel ones. Statistical models are reductionist approaches geared towards proving the null hypothesis. While these two approaches may seem contrary to each other, we propose that they are in fact complementary and can be used jointly to advance solutions to complex problems. Outputs from statistical models can be fed into computational models, and outputs from computational models can lead to further empirical data collection and statistical models. Together, this presents an iterative process that refines the models and contributes to a greater understanding of the problem and its potential solutions. The purpose of this panel is to foster communication and understanding between statistical and computational modelers. Our goal is to shed light on the differences between the approaches and convey what kinds of research inquiries each one is best for addressing and how they can serve complementary (and synergistic) roles in the research process, to mutual benefit. For each approach the panel will cover the relevant "assumptions" and how the differences in what is assumed can foster misunderstandings. The interpretations of the results from each approach will be compared and contrasted and the limitations for each approach will be delineated. We will use illustrative examples from CompMod, the Comparative Modeling Network for Childhood Obesity Policy. The panel will also incorporate interactive discussions with the audience on the issues raised here.

Supporting Regularized Logistic Regression Privately and Efficiently.

PubMed

Li, Wenfa; Liu, Hongzhe; Yang, Peng; Xie, Wei

2016-01-01

As one of the most popular statistical and machine learning models, logistic regression with regularization has found wide adoption in biomedicine, social sciences, information technology, and so on. These domains often involve data of human subjects that are contingent upon strict privacy regulations. Concerns over data privacy make it increasingly difficult to coordinate and conduct large-scale collaborative studies, which typically rely on cross-institution data sharing and joint analysis. Our work here focuses on safeguarding regularized logistic regression, a widely-used statistical model while at the same time has not been investigated from a data security and privacy perspective. We consider a common use scenario of multi-institution collaborative studies, such as in the form of research consortia or networks as widely seen in genetics, epidemiology, social sciences, etc. To make our privacy-enhancing solution practical, we demonstrate a non-conventional and computationally efficient method leveraging distributing computing and strong cryptography to provide comprehensive protection over individual-level and summary data. Extensive empirical evaluations on several studies validate the privacy guarantee, efficiency and scalability of our proposal. We also discuss the practical implications of our solution for large-scale studies and applications from various disciplines, including genetic and biomedical studies, smart grid, network analysis, etc.

Supporting Regularized Logistic Regression Privately and Efficiently

PubMed Central

Li, Wenfa; Liu, Hongzhe; Yang, Peng; Xie, Wei

2016-01-01

As one of the most popular statistical and machine learning models, logistic regression with regularization has found wide adoption in biomedicine, social sciences, information technology, and so on. These domains often involve data of human subjects that are contingent upon strict privacy regulations. Concerns over data privacy make it increasingly difficult to coordinate and conduct large-scale collaborative studies, which typically rely on cross-institution data sharing and joint analysis. Our work here focuses on safeguarding regularized logistic regression, a widely-used statistical model while at the same time has not been investigated from a data security and privacy perspective. We consider a common use scenario of multi-institution collaborative studies, such as in the form of research consortia or networks as widely seen in genetics, epidemiology, social sciences, etc. To make our privacy-enhancing solution practical, we demonstrate a non-conventional and computationally efficient method leveraging distributing computing and strong cryptography to provide comprehensive protection over individual-level and summary data. Extensive empirical evaluations on several studies validate the privacy guarantee, efficiency and scalability of our proposal. We also discuss the practical implications of our solution for large-scale studies and applications from various disciplines, including genetic and biomedical studies, smart grid, network analysis, etc. PMID:27271738

Maximal aggregation of polynomial dynamical systems

PubMed Central

Cardelli, Luca; Tschaikowski, Max

2017-01-01

Ordinary differential equations (ODEs) with polynomial derivatives are a fundamental tool for understanding the dynamics of systems across many branches of science, but our ability to gain mechanistic insight and effectively conduct numerical evaluations is critically hindered when dealing with large models. Here we propose an aggregation technique that rests on two notions of equivalence relating ODE variables whenever they have the same solution (backward criterion) or if a self-consistent system can be written for describing the evolution of sums of variables in the same equivalence class (forward criterion). A key feature of our proposal is to encode a polynomial ODE system into a finitary structure akin to a formal chemical reaction network. This enables the development of a discrete algorithm to efficiently compute the largest equivalence, building on approaches rooted in computer science to minimize basic models of computation through iterative partition refinements. The physical interpretability of the aggregation is shown on polynomial ODE systems for biochemical reaction networks, gene regulatory networks, and evolutionary game theory. PMID:28878023

Final Report. Institute for Ultralscale Visualization

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

Ma, Kwan-Liu; Galli, Giulia; Gygi, Francois

The SciDAC Institute for Ultrascale Visualization brought together leading experts from visualization, high-performance computing, and science application areas to make advanced visualization solutions for SciDAC scientists and the broader community. Over the five-year project, the Institute introduced many new enabling visualization techniques, which have significantly enhanced scientists’ ability to validate their simulations, interpret their data, and communicate with others about their work and findings. This Institute project involved a large number of junior and student researchers, who received the opportunities to work on some of the most challenging science applications and gain access to the most powerful high-performance computing facilitiesmore » in the world. They were readily trained and prepared for facing the greater challenges presented by extreme-scale computing. The Institute’s outreach efforts, through publications, workshops and tutorials, successfully disseminated the new knowledge and technologies to the SciDAC and the broader scientific communities. The scientific findings and experience of the Institute team helped plan the SciDAC3 program.« less

Cloud-based Jupyter Notebooks for Water Data Analysis

NASA Astrophysics Data System (ADS)

Castronova, A. M.; Brazil, L.; Seul, M.

2017-12-01

The development and adoption of technologies by the water science community to improve our ability to openly collaborate and share workflows will have a transformative impact on how we address the challenges associated with collaborative and reproducible scientific research. Jupyter notebooks offer one solution by providing an open-source platform for creating metadata-rich toolchains for modeling and data analysis applications. Adoption of this technology within the water sciences, coupled with publicly available datasets from agencies such as USGS, NASA, and EPA enables researchers to easily prototype and execute data intensive toolchains. Moreover, implementing this software stack in a cloud-based environment extends its native functionality to provide researchers a mechanism to build and execute toolchains that are too large or computationally demanding for typical desktop computers. Additionally, this cloud-based solution enables scientists to disseminate data processing routines alongside journal publications in an effort to support reproducibility. For example, these data collection and analysis toolchains can be shared, archived, and published using the HydroShare platform or downloaded and executed locally to reproduce scientific analysis. This work presents the design and implementation of a cloud-based Jupyter environment and its application for collecting, aggregating, and munging various datasets in a transparent, sharable, and self-documented manner. The goals of this work are to establish a free and open source platform for domain scientists to (1) conduct data intensive and computationally intensive collaborative research, (2) utilize high performance libraries, models, and routines within a pre-configured cloud environment, and (3) enable dissemination of research products. This presentation will discuss recent efforts towards achieving these goals, and describe the architectural design of the notebook server in an effort to support collaborative and reproducible science.

Arctic Boreal Vulnerability Experiment (ABoVE) Science Cloud

NASA Astrophysics Data System (ADS)

Duffy, D.; Schnase, J. L.; McInerney, M.; Webster, W. P.; Sinno, S.; Thompson, J. H.; Griffith, P. C.; Hoy, E.; Carroll, M.

2014-12-01

The effects of climate change are being revealed at alarming rates in the Arctic and Boreal regions of the planet. NASA's Terrestrial Ecology Program has launched a major field campaign to study these effects over the next 5 to 8 years. The Arctic Boreal Vulnerability Experiment (ABoVE) will challenge scientists to take measurements in the field, study remote observations, and even run models to better understand the impacts of a rapidly changing climate for areas of Alaska and western Canada. The NASA Center for Climate Simulation (NCCS) at the Goddard Space Flight Center (GSFC) has partnered with the Terrestrial Ecology Program to create a science cloud designed for this field campaign - the ABoVE Science Cloud. The cloud combines traditional high performance computing with emerging technologies to create an environment specifically designed for large-scale climate analytics. The ABoVE Science Cloud utilizes (1) virtualized high-speed InfiniBand networks, (2) a combination of high-performance file systems and object storage, and (3) virtual system environments tailored for data intensive, science applications. At the center of the architecture is a large object storage environment, much like a traditional high-performance file system, that supports data proximal processing using technologies like MapReduce on a Hadoop Distributed File System (HDFS). Surrounding the storage is a cloud of high performance compute resources with many processing cores and large memory coupled to the storage through an InfiniBand network. Virtual systems can be tailored to a specific scientist and provisioned on the compute resources with extremely high-speed network connectivity to the storage and to other virtual systems. In this talk, we will present the architectural components of the science cloud and examples of how it is being used to meet the needs of the ABoVE campaign. In our experience, the science cloud approach significantly lowers the barriers and risks to organizations that require high performance computing solutions and provides the NCCS with the agility required to meet our customers' rapidly increasing and evolving requirements.

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

The StratusLab cloud distribution: Use-cases and support for scientific applications

NASA Astrophysics Data System (ADS)

Floros, E.

2012-04-01

The StratusLab project is integrating an open cloud software distribution that enables organizations to setup and provide their own private or public IaaS (Infrastructure as a Service) computing clouds. StratusLab distribution capitalizes on popular infrastructure virtualization solutions like KVM, the OpenNebula virtual machine manager, Claudia service manager and SlipStream deployment platform, which are further enhanced and expanded with additional components developed within the project. The StratusLab distribution covers the core aspects of a cloud IaaS architecture, namely Computing (life-cycle management of virtual machines), Storage, Appliance management and Networking. The resulting software stack provides a packaged turn-key solution for deploying cloud computing services. The cloud computing infrastructures deployed using StratusLab can support a wide range of scientific and business use cases. Grid computing has been the primary use case pursued by the project and for this reason the initial priority has been the support for the deployment and operation of fully virtualized production-level grid sites; a goal that has already been achieved by operating such a site as part of EGI's (European Grid Initiative) pan-european grid infrastructure. In this area the project is currently working to provide non-trivial capabilities like elastic and autonomic management of grid site resources. Although grid computing has been the motivating paradigm, StratusLab's cloud distribution can support a wider range of use cases. Towards this direction, we have developed and currently provide support for setting up general purpose computing solutions like Hadoop, MPI and Torque clusters. For what concerns scientific applications the project is collaborating closely with the Bioinformatics community in order to prepare VM appliances and deploy optimized services for bioinformatics applications. In a similar manner additional scientific disciplines like Earth Science can take advantage of StratusLab cloud solutions. Interested users are welcomed to join StratusLab's user community by getting access to the reference cloud services deployed by the project and offered to the public.

A fully programmable 100-spin coherent Ising machine with all-to-all connections

NASA Astrophysics Data System (ADS)

McMahon, Peter; Marandi, Alireza; Haribara, Yoshitaka; Hamerly, Ryan; Langrock, Carsten; Tamate, Shuhei; Inagaki, Takahiro; Takesue, Hiroki; Utsunomiya, Shoko; Aihara, Kazuyuki; Byer, Robert; Fejer, Martin; Mabuchi, Hideo; Yamamoto, Yoshihisa

We present a scalable optical processor with electronic feedback, based on networks of optical parametric oscillators. The design of our machine is inspired by adiabatic quantum computers, although it is not an AQC itself. Our prototype machine is able to find exact solutions of, or sample good approximate solutions to, a variety of hard instances of Ising problems with up to 100 spins and 10,000 spin-spin connections. This research was funded by the Impulsing Paradigm Change through Disruptive Technologies (ImPACT) Program of the Council of Science, Technology and Innovation (Cabinet Office, Government of Japan).

Rate Theory of Ion Pairing at the Water Liquid–Vapor Interface

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

Dang, Liem X.; Schenter, Gregory K.; Wick, Collin D.

There is overwhelming evidence that certain ions are present near the vapor–liquid interface of aqueous salt solutions. Despite their importance in many chemical reactive phenomena, how ion–ion interactions are affected by interfaces and their influence on kinetic processes is not well understood. Molecular simulations were carried out to exam the thermodynamics and kinetics of small alkali halide ions in the bulk and near the water vapor–liquid interface. We calculated dissociation rates using classical transition state theory, and corrected them with transmission coefficients determined by the reactive flux method and Grote-Hynes theory. Our results show that, in addition to affecting themore » free energy of ions in solution, the interfacial environments significantly influence the kinetics of ion pairing. The results obtained from the reactive flux method and Grote-Hynes theory on the relaxation time present an unequivocal picture of the interface suppressing ion dissociation. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

Citizen science: A new perspective to advance spatial pattern evaluation in hydrology.

PubMed

Koch, Julian; Stisen, Simon

2017-01-01

Citizen science opens new pathways that can complement traditional scientific practice. Intuition and reasoning often make humans more effective than computer algorithms in various realms of problem solving. In particular, a simple visual comparison of spatial patterns is a task where humans are often considered to be more reliable than computer algorithms. However, in practice, science still largely depends on computer based solutions, which inevitably gives benefits such as speed and the possibility to automatize processes. However, the human vision can be harnessed to evaluate the reliability of algorithms which are tailored to quantify similarity in spatial patterns. We established a citizen science project to employ the human perception to rate similarity and dissimilarity between simulated spatial patterns of several scenarios of a hydrological catchment model. In total, the turnout counts more than 2500 volunteers that provided over 43000 classifications of 1095 individual subjects. We investigate the capability of a set of advanced statistical performance metrics to mimic the human perception to distinguish between similarity and dissimilarity. Results suggest that more complex metrics are not necessarily better at emulating the human perception, but clearly provide auxiliary information that is valuable for model diagnostics. The metrics clearly differ in their ability to unambiguously distinguish between similar and dissimilar patterns which is regarded a key feature of a reliable metric. The obtained dataset can provide an insightful benchmark to the community to test novel spatial metrics.

High-Productivity Computing in Computational Physics Education

NASA Astrophysics Data System (ADS)

Tel-Zur, Guy

2011-03-01

We describe the development of a new course in Computational Physics at the Ben-Gurion University. This elective course for 3rd year undergraduates and MSc. students is being taught during one semester. Computational Physics is by now well accepted as the Third Pillar of Science. This paper's claim is that modern Computational Physics education should deal also with High-Productivity Computing. The traditional approach of teaching Computational Physics emphasizes ``Correctness'' and then ``Accuracy'' and we add also ``Performance.'' Along with topics in Mathematical Methods and case studies in Physics the course deals a significant amount of time with ``Mini-Courses'' in topics such as: High-Throughput Computing - Condor, Parallel Programming - MPI and OpenMP, How to build a Beowulf, Visualization and Grid and Cloud Computing. The course does not intend to teach neither new physics nor new mathematics but it is focused on an integrated approach for solving problems starting from the physics problem, the corresponding mathematical solution, the numerical scheme, writing an efficient computer code and finally analysis and visualization.

[Computational chemistry in structure-based drug design].

PubMed

Cao, Ran; Li, Wei; Sun, Han-Zi; Zhou, Yu; Huang, Niu

2013-07-01

Today, the understanding of the sequence and structure of biologically relevant targets is growing rapidly and researchers from many disciplines, physics and computational science in particular, are making significant contributions to modern biology and drug discovery. However, it remains challenging to rationally design small molecular ligands with desired biological characteristics based on the structural information of the drug targets, which demands more accurate calculation of ligand binding free-energy. With the rapid advances in computer power and extensive efforts in algorithm development, physics-based computational chemistry approaches have played more important roles in structure-based drug design. Here we reviewed the newly developed computational chemistry methods in structure-based drug design as well as the elegant applications, including binding-site druggability assessment, large scale virtual screening of chemical database, and lead compound optimization. Importantly, here we address the current bottlenecks and propose practical solutions.

A new parallel DNA algorithm to solve the task scheduling problem based on inspired computational model.

PubMed

Wang, Zhaocai; Ji, Zuwen; Wang, Xiaoming; Wu, Tunhua; Huang, Wei

2017-12-01

As a promising approach to solve the computationally intractable problem, the method based on DNA computing is an emerging research area including mathematics, computer science and molecular biology. The task scheduling problem, as a well-known NP-complete problem, arranges n jobs to m individuals and finds the minimum execution time of last finished individual. In this paper, we use a biologically inspired computational model and describe a new parallel algorithm to solve the task scheduling problem by basic DNA molecular operations. In turn, we skillfully design flexible length DNA strands to represent elements of the allocation matrix, take appropriate biological experiment operations and get solutions of the task scheduling problem in proper length range with less than O(n 2 ) time complexity. Copyright © 2017. Published by Elsevier B.V.

Addressing the Challenges of a New Digital Technologies Curriculum: MOOCs as a Scalable Solution for Teacher Professional Development

ERIC Educational Resources Information Center

Vivian, Rebecca; Falkner, Katrina; Falkner, Nickolas

2014-01-01

England and Australia have introduced new learning areas, teaching computer science to children from the first year of school. This is a significant milestone that also raises a number of big challenges: the preparation of teachers and the development of resources" at a national scale." Curriculum change is not easy for teachers, in any…

Computational Models of Rock Failure

NASA Astrophysics Data System (ADS)

May, Dave A.; Spiegelman, Marc

2017-04-01

Practitioners in computational geodynamics, as per many other branches of applied science, typically do not analyse the underlying PDE's being solved in order to establish the existence or uniqueness of solutions. Rather, such proofs are left to the mathematicians, and all too frequently these results lag far behind (in time) the applied research being conducted, are often unintelligible to the non-specialist, are buried in journals applied scientists simply do not read, or simply have not been proven. As practitioners, we are by definition pragmatic. Thus, rather than first analysing our PDE's, we first attempt to find approximate solutions by throwing all our computational methods and machinery at the given problem and hoping for the best. Typically this approach leads to a satisfactory outcome. Usually it is only if the numerical solutions "look odd" that we start delving deeper into the math. In this presentation I summarise our findings in relation to using pressure dependent (Drucker-Prager type) flow laws in a simplified model of continental extension in which the material is assumed to be an incompressible, highly viscous fluid. Such assumptions represent the current mainstream adopted in computational studies of mantle and lithosphere deformation within our community. In short, we conclude that for the parameter range of cohesion and friction angle relevant to studying rocks, the incompressibility constraint combined with a Drucker-Prager flow law can result in problems which have no solution. This is proven by a 1D analytic model and convincingly demonstrated by 2D numerical simulations. To date, we do not have a robust "fix" for this fundamental problem. The intent of this submission is to highlight the importance of simple analytic models, highlight some of the dangers / risks of interpreting numerical solutions without understanding the properties of the PDE we solved, and lastly to stimulate discussions to develop an improved computational model of rock failure suitable for geodynamic studies.

High performance computing and communications: Advancing the frontiers of information technology

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

NONE

1997-12-31

This report, which supplements the President`s Fiscal Year 1997 Budget, describes the interagency High Performance Computing and Communications (HPCC) Program. The HPCC Program will celebrate its fifth anniversary in October 1996 with an impressive array of accomplishments to its credit. Over its five-year history, the HPCC Program has focused on developing high performance computing and communications technologies that can be applied to computation-intensive applications. Major highlights for FY 1996: (1) High performance computing systems enable practical solutions to complex problems with accuracies not possible five years ago; (2) HPCC-funded research in very large scale networking techniques has been instrumental inmore » the evolution of the Internet, which continues exponential growth in size, speed, and availability of information; (3) The combination of hardware capability measured in gigaflop/s, networking technology measured in gigabit/s, and new computational science techniques for modeling phenomena has demonstrated that very large scale accurate scientific calculations can be executed across heterogeneous parallel processing systems located thousands of miles apart; (4) Federal investments in HPCC software R and D support researchers who pioneered the development of parallel languages and compilers, high performance mathematical, engineering, and scientific libraries, and software tools--technologies that allow scientists to use powerful parallel systems to focus on Federal agency mission applications; and (5) HPCC support for virtual environments has enabled the development of immersive technologies, where researchers can explore and manipulate multi-dimensional scientific and engineering problems. Educational programs fostered by the HPCC Program have brought into classrooms new science and engineering curricula designed to teach computational science. This document contains a small sample of the significant HPCC Program accomplishments in FY 1996.« less

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

D'Azevedo, Eduardo; Abbott, Stephen; Koskela, Tuomas

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning.

Aspects of Unstructured Grids and Finite-Volume Solvers for the Euler and Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

1992-01-01

One of the major achievements in engineering science has been the development of computer algorithms for solving nonlinear differential equations such as the Navier-Stokes equations. In the past, limited computer resources have motivated the development of efficient numerical schemes in computational fluid dynamics (CFD) utilizing structured meshes. The use of structured meshes greatly simplifies the implementation of CFD algorithms on conventional computers. Unstructured grids on the other hand offer an alternative to modeling complex geometries. Unstructured meshes have irregular connectivity and usually contain combinations of triangles, quadrilaterals, tetrahedra, and hexahedra. The generation and use of unstructured grids poses new challenges in CFD. The purpose of this note is to present recent developments in the unstructured grid generation and flow solution technology.

2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

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

Runnels, Scott Robert; Bachrach, Harrison Ian; Carlson, Nils

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transportmore » and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.« less

Know Your Discipline: Teaching the Philosophy of Computer Science

ERIC Educational Resources Information Center

Tedre, Matti

2007-01-01

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

Information system evolution at the French National Network of Seismic Survey (BCSF-RENASS)

NASA Astrophysics Data System (ADS)

Engels, F.; Grunberg, M.

2013-12-01

The aging information system of the French National Network of Seismic Survey (BCSF-RENASS), located in Strasbourg (EOST), needed to be updated to satisfy new practices from Computer science world. The latter means to evolve our system at different levels : development method, datamining solutions, system administration. The new system had to provide more agility for incoming projects. The main difficulty was to maintain old system and the new one in parallel the time to validate new solutions with a restricted team. Solutions adopted here are coming from standards used by the seismological community and inspired by the state of the art of devops community. The new system is easier to maintain and take advantage of large community to find support. This poster introduces the new system and choosen solutions like Puppet, Fabric, MongoDB and FDSN Webservices.

What is data ethics?

PubMed

Floridi, Luciano; Taddeo, Mariarosaria

2016-12-28

This theme issue has the founding ambition of landscaping data ethics as a new branch of ethics that studies and evaluates moral problems related to data (including generation, recording, curation, processing, dissemination, sharing and use), algorithms (including artificial intelligence, artificial agents, machine learning and robots) and corresponding practices (including responsible innovation, programming, hacking and professional codes), in order to formulate and support morally good solutions (e.g. right conducts or right values). Data ethics builds on the foundation provided by computer and information ethics but, at the same time, it refines the approach endorsed so far in this research field, by shifting the level of abstraction of ethical enquiries, from being information-centric to being data-centric. This shift brings into focus the different moral dimensions of all kinds of data, even data that never translate directly into information but can be used to support actions or generate behaviours, for example. It highlights the need for ethical analyses to concentrate on the content and nature of computational operations-the interactions among hardware, software and data-rather than on the variety of digital technologies that enable them. And it emphasizes the complexity of the ethical challenges posed by data science. Because of such complexity, data ethics should be developed from the start as a macroethics, that is, as an overall framework that avoids narrow, ad hoc approaches and addresses the ethical impact and implications of data science and its applications within a consistent, holistic and inclusive framework. Only as a macroethics will data ethics provide solutions that can maximize the value of data science for our societies, for all of us and for our environments.This article is part of the themed issue 'The ethical impact of data science'. © 2016 The Author(s).

The Center for Multiscale Plasma Dynamics, Final Report

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

Gombosi, Tamas I.

The University of Michigan participated in the joint UCLA/Maryland fusion science center focused on plasma physics problems for which the traditional separation of the dynamics into microscale and macroscale processes breaks down. These processes involve large scale flows and magnetic fields tightly coupled to the small scale, kinetic dynamics of turbulence, particle acceleration and energy cascade. The interaction between these vastly disparate scales controls the evolution of the system. The enormous range of temporal and spatial scales associated with these problems renders direct simulation intractable even in computations that use the largest existing parallel computers. Our efforts focused on twomore » main problems: the development of Hall MHD solvers on solution adaptive grids and the development of solution adaptive grids using generalized coordinates so that the proper geometry of inertial confinement can be taken into account and efficient refinement strategies can be obtained.« less

Citizen Science

NASA Technical Reports Server (NTRS)

Memarsadeghi, Nargess

2015-01-01

Scientists and engineers constantly face new challenges, despite myriad advances in computing. More sets of data are collected today from earth and sky than there is time or resources available to carefully analyze them. Some problems either don't have fast algorithms to solve them or have solutions that must be found among millions of options, a situation akin to finding a needle in a haystack. But all hope is not lost: advances in technology and the Internet have empowered the general public to participate in the scientific process via individual computational resources and brain cognition, which isn't matched by any machine. Citizen scientists are volunteers who perform scientific work by making observations, collecting and disseminating data, making measurements, and analyzing or interpreting data without necessarily having any scientific training. In so doing, individuals from all over the world can contribute to science in ways that wouldn't have been otherwise possible.

GASPRNG: GPU accelerated scalable parallel random number generator library

NASA Astrophysics Data System (ADS)

Gao, Shuang; Peterson, Gregory D.

2013-04-01

Graphics processors represent a promising technology for accelerating computational science applications. Many computational science applications require fast and scalable random number generation with good statistical properties, so they use the Scalable Parallel Random Number Generators library (SPRNG). We present the GPU Accelerated SPRNG library (GASPRNG) to accelerate SPRNG in GPU-based high performance computing systems. GASPRNG includes code for a host CPU and CUDA code for execution on NVIDIA graphics processing units (GPUs) along with a programming interface to support various usage models for pseudorandom numbers and computational science applications executing on the CPU, GPU, or both. This paper describes the implementation approach used to produce high performance and also describes how to use the programming interface. The programming interface allows a user to be able to use GASPRNG the same way as SPRNG on traditional serial or parallel computers as well as to develop tightly coupled programs executing primarily on the GPU. We also describe how to install GASPRNG and use it. To help illustrate linking with GASPRNG, various demonstration codes are included for the different usage models. GASPRNG on a single GPU shows up to 280x speedup over SPRNG on a single CPU core and is able to scale for larger systems in the same manner as SPRNG. Because GASPRNG generates identical streams of pseudorandom numbers as SPRNG, users can be confident about the quality of GASPRNG for scalable computational science applications. Catalogue identifier: AEOI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOI_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: UTK license. No. of lines in distributed program, including test data, etc.: 167900 No. of bytes in distributed program, including test data, etc.: 1422058 Distribution format: tar.gz Programming language: C and CUDA. Computer: Any PC or workstation with NVIDIA GPU (Tested on Fermi GTX480, Tesla C1060, Tesla M2070). Operating system: Linux with CUDA version 4.0 or later. Should also run on MacOS, Windows, or UNIX. Has the code been vectorized or parallelized?: Yes. Parallelized using MPI directives. RAM: 512 MB˜ 732 MB (main memory on host CPU, depending on the data type of random numbers.) / 512 MB (GPU global memory) Classification: 4.13, 6.5. Nature of problem: Many computational science applications are able to consume large numbers of random numbers. For example, Monte Carlo simulations are able to consume limitless random numbers for the computation as long as resources for the computing are supported. Moreover, parallel computational science applications require independent streams of random numbers to attain statistically significant results. The SPRNG library provides this capability, but at a significant computational cost. The GASPRNG library presented here accelerates the generators of independent streams of random numbers using graphical processing units (GPUs). Solution method: Multiple copies of random number generators in GPUs allow a computational science application to consume large numbers of random numbers from independent, parallel streams. GASPRNG is a random number generators library to allow a computational science application to employ multiple copies of random number generators to boost performance. Users can interface GASPRNG with software code executing on microprocessors and/or GPUs. Running time: The tests provided take a few minutes to run.

Here and now: the intersection of computational science, quantum-mechanical simulations, and materials science

NASA Astrophysics Data System (ADS)

Marzari, Nicola

The last 30 years have seen the steady and exhilarating development of powerful quantum-simulation engines for extended systems, dedicated to the solution of the Kohn-Sham equations of density-functional theory, often augmented by density-functional perturbation theory, many-body perturbation theory, time-dependent density-functional theory, dynamical mean-field theory, and quantum Monte Carlo. Their implementation on massively parallel architectures, now leveraging also GPUs and accelerators, has started a massive effort in the prediction from first principles of many or of complex materials properties, leading the way to the exascale through the combination of HPC (high-performance computing) and HTC (high-throughput computing). Challenges and opportunities abound: complementing hardware and software investments and design; developing the materials' informatics infrastructure needed to encode knowledge into complex protocols and workflows of calculations; managing and curating data; resisting the complacency that we have already reached the predictive accuracy needed for materials design, or a robust level of verification of the different quantum engines. In this talk I will provide an overview of these challenges, with the ultimate prize being the computational understanding, prediction, and design of properties and performance for novel or complex materials and devices.

Citizen science: A new perspective to evaluate spatial patterns in hydrology.

NASA Astrophysics Data System (ADS)

Koch, J.; Stisen, S.

2016-12-01

Citizen science opens new pathways that can complement traditional scientific practice. Intuition and reasoning make humans often more effective than computer algorithms in various realms of problem solving. In particular, a simple visual comparison of spatial patterns is a task where humans are often considered to be more reliable than computer algorithms. However, in practice, science still largely depends on computer based solutions, which is inevitable giving benefits such as speed and the possibility to automatize processes. This study highlights the integration of the generally underused human resource into hydrology. We established a citizen science project on the zooniverse platform entitled Pattern Perception. The aim is to employ the human perception to rate similarity and dissimilarity between simulated spatial patterns of a hydrological catchment model. In total, the turnout counts more than 2,800 users that provided over 46,000 classifications of 1,095 individual subjects within 64 days after the launch. Each subject displays simulated spatial patterns of land-surface variables of a baseline model and six modelling scenarios. The citizen science data discloses a numeric pattern similarity score for each of the scenarios with respect to the reference. We investigate the capability of a set of innovative statistical performance metrics to mimic the human perception to distinguish between similarity and dissimilarity. Results suggest that more complex metrics are not necessarily better at emulating the human perception, but clearly provide flexibility and auxiliary information that is valuable for model diagnostics. The metrics clearly differ in their ability to unambiguously distinguish between similar and dissimilar patterns which is regarded a key feature of a reliable metric.

Mechanisms and Dynamics of Abiotic and Biotic Interactions at Environmental Interfaces

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

Roso, Kevin M.

The Stanford EMSI (SEMSI) was established in 2004 through joint funding by the National Science Foundation and the OBER-ERSD. It encompasses a number of universities and national laboratories. The PNNL component of the SEMSI is funded by ERSD and is the focus of this report. This component has the objective of providing theory support to the SEMSI by bringing computational capabilities and expertise to bear on important electron transfer problems at mineral/water and mineral/microbe interfaces. PNNL staff member Dr. Kevin Rosso, who is also ''matrixed'' into the Environmental Molecular Sciences Laboratory (EMSL) at PNNL, is a co-PI on the SEMSImore » project and the PNNL lead. The EMSL computational facilities being applied to the SEMSI project include the 11.8 teraflop massively-parallel supercomputer. Science goals of this EMSL/SEMSI partnership include advancing our understanding of: (1) The kinetics of U(VI) and Cr(VI) reduction by aqueous and solid-phase Fe(II), (2) The structure of mineral surfaces in equilibrium with solution, and (3) Mechanisms of bacterial electron transfer to iron oxide surfaces via outer-membrane cytochromes.« less

Operationalizing Mobile Applications for Humanitarian Assistance/Disaster Relief Missions

DTIC Science & Technology

2014-03-01

FLAK, equipped with BGAN, WiMAX and meshed Wi-Fi gear. The group also brought power solutions such as solar cells, fuel cells, and wind turbines as...Open data kit sensors : Mobile data collection with wired and wireless sensors . Seattle, WA: Department of Computer Science and Engineering. Retrieved...activities taking place in the society. Over the years, communication has been modified from basic landlines to wireless schemes prevalent today, and

Semiannual Report for Contract NAS1-19480 (Institute for Computer Applications in Science and Engineering)

DTIC Science & Technology

1994-06-01

algorithms for large, irreducibly coupled systems iteratively solve concurrent problems within different subspaces of a Hilbert space, or within different...effective on problems amenable to SIMD solution. Together with researchers at AT&T Bell Labs (Boris Lubachevsky, Albert Greenberg ) we have developed...reasonable measurement. In the study of different speedups, various causes of superlinear speedup are also presented. Greenberg , Albert G., Boris D

A Framework for Evaluating Digital Library Services; Interdisciplinarity: The Road Ahead for Education in Digital Libraries; Federated Digital Rights Management: A Proposed DRM Solution for Research and Education; Learning Lessons Holistically in the Glasgow Digital Library.

ERIC Educational Resources Information Center

Choudhury, Sayeed; Hobbs, Benjamin; Lorie, Mark; Flores, Nicholas; Coleman, Anita; Martin, Mairead; Kuhlman, David L.; McNair, John H.; Rhodes, William A.; Tipton, Ron; Agnew, Grace; Nicholson, Dennis; Macgregor, George

2002-01-01

Includes four articles that address issues related to digital libraries. Highlights include a framework for evaluating digital library services, particularly academic research libraries; interdisciplinary approaches to education about digital libraries that includes library and information science and computing; digital rights management; and the…

UNC Collaboratory Project: Overview

DTIC Science & Technology

1990-11-01

technical, and other expository documents. Crucial to our success has been the selection of driving problems whose solutions have been of significance not...systems, and with the growing necessity for "team science", we believe the time is right to select a new driving problem -- support for multiple...the WE computer system. The WE system includes sensors imbedded within it that record each users’ action These records include each menu selection

Computational solutions to large-scale data management and analysis

PubMed Central

Schadt, Eric E.; Linderman, Michael D.; Sorenson, Jon; Lee, Lawrence; Nolan, Garry P.

2011-01-01

Today we can generate hundreds of gigabases of DNA and RNA sequencing data in a week for less than US$5,000. The astonishing rate of data generation by these low-cost, high-throughput technologies in genomics is being matched by that of other technologies, such as real-time imaging and mass spectrometry-based flow cytometry. Success in the life sciences will depend on our ability to properly interpret the large-scale, high-dimensional data sets that are generated by these technologies, which in turn requires us to adopt advances in informatics. Here we discuss how we can master the different types of computational environments that exist — such as cloud and heterogeneous computing — to successfully tackle our big data problems. PMID:20717155

TerraFERMA: The Transparent Finite Element Rapid Model Assembler for multi-physics problems in the solid Earth sciences

NASA Astrophysics Data System (ADS)

Spiegelman, M. W.; Wilson, C. R.; Van Keken, P. E.

2013-12-01

We announce the release of a new software infrastructure, TerraFERMA, the Transparent Finite Element Rapid Model Assembler for the exploration and solution of coupled multi-physics problems. The design of TerraFERMA is driven by two overarching computational needs in Earth sciences. The first is the need for increased flexibility in both problem description and solution strategies for coupled problems where small changes in model assumptions can often lead to dramatic changes in physical behavior. The second is the need for software and models that are more transparent so that results can be verified, reproduced and modified in a manner such that the best ideas in computation and earth science can be more easily shared and reused. TerraFERMA leverages three advanced open-source libraries for scientific computation that provide high level problem description (FEniCS), composable solvers for coupled multi-physics problems (PETSc) and a science neutral options handling system (SPuD) that allows the hierarchical management of all model options. TerraFERMA integrates these libraries into an easier to use interface that organizes the scientific and computational choices required in a model into a single options file, from which a custom compiled application is generated and run. Because all models share the same infrastructure, models become more reusable and reproducible. TerraFERMA inherits much of its functionality from the underlying libraries. It currently solves partial differential equations (PDE) using finite element methods on simplicial meshes of triangles (2D) and tetrahedra (3D). The software is particularly well suited for non-linear problems with complex coupling between components. We demonstrate the design and utility of TerraFERMA through examples of thermal convection and magma dynamics. TerraFERMA has been tested successfully against over 45 benchmark problems from 7 publications in incompressible and compressible convection, magmatic solitary waves and Stokes flow with free surfaces. We have been using it extensively for research in basic magma dynamics, fluid flow in subduction zones and reactive cracking in poro-elastic materials. TerraFERMA is open-source and available as a git repository at bitbucket.org/tferma/tferma and through CIG. Instability of a 1-D magmatic solitary wave to spherical 3D waves calculated using TerraFERMA

Fixing convergence of Gaussian belief propagation

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

Johnson, Jason K; Bickson, Danny; Dolev, Danny

Gaussian belief propagation (GaBP) is an iterative message-passing algorithm for inference in Gaussian graphical models. It is known that when GaBP converges it converges to the correct MAP estimate of the Gaussian random vector and simple sufficient conditions for its convergence have been established. In this paper we develop a double-loop algorithm for forcing convergence of GaBP. Our method computes the correct MAP estimate even in cases where standard GaBP would not have converged. We further extend this construction to compute least-squares solutions of over-constrained linear systems. We believe that our construction has numerous applications, since the GaBP algorithm ismore » linked to solution of linear systems of equations, which is a fundamental problem in computer science and engineering. As a case study, we discuss the linear detection problem. We show that using our new construction, we are able to force convergence of Montanari's linear detection algorithm, in cases where it would originally fail. As a consequence, we are able to increase significantly the number of users that can transmit concurrently.« less

Citizen science: A new perspective to advance spatial pattern evaluation in hydrology

PubMed Central

Stisen, Simon

2017-01-01

Citizen science opens new pathways that can complement traditional scientific practice. Intuition and reasoning often make humans more effective than computer algorithms in various realms of problem solving. In particular, a simple visual comparison of spatial patterns is a task where humans are often considered to be more reliable than computer algorithms. However, in practice, science still largely depends on computer based solutions, which inevitably gives benefits such as speed and the possibility to automatize processes. However, the human vision can be harnessed to evaluate the reliability of algorithms which are tailored to quantify similarity in spatial patterns. We established a citizen science project to employ the human perception to rate similarity and dissimilarity between simulated spatial patterns of several scenarios of a hydrological catchment model. In total, the turnout counts more than 2500 volunteers that provided over 43000 classifications of 1095 individual subjects. We investigate the capability of a set of advanced statistical performance metrics to mimic the human perception to distinguish between similarity and dissimilarity. Results suggest that more complex metrics are not necessarily better at emulating the human perception, but clearly provide auxiliary information that is valuable for model diagnostics. The metrics clearly differ in their ability to unambiguously distinguish between similar and dissimilar patterns which is regarded a key feature of a reliable metric. The obtained dataset can provide an insightful benchmark to the community to test novel spatial metrics. PMID:28558050

Designing, programming, and optimizing a (small) quantum computer

NASA Astrophysics Data System (ADS)

Svore, Krysta

In 1982, Richard Feynman proposed to use a computer founded on the laws of quantum physics to simulate physical systems. In the more than thirty years since, quantum computers have shown promise to solve problems in number theory, chemistry, and materials science that would otherwise take longer than the lifetime of the universe to solve on an exascale classical machine. The practical realization of a quantum computer requires understanding and manipulating subtle quantum states while experimentally controlling quantum interference. It also requires an end-to-end software architecture for programming, optimizing, and implementing a quantum algorithm on the quantum device hardware. In this talk, we will introduce recent advances in connecting abstract theory to present-day real-world applications through software. We will highlight recent advancement of quantum algorithms and the challenges in ultimately performing a scalable solution on a quantum device.

"helix Nebula - the Science Cloud", a European Science Driven Cross-Domain Initiative Implemented in via AN Active Ppp Set-Up

NASA Astrophysics Data System (ADS)

Lengert, W.; Mondon, E.; Bégin, M. E.; Ferrer, M.; Vallois, F.; DelaMar, J.

2015-12-01

Helix Nebula, a European science cross-domain initiative building on an active PPP, is aiming to implement the concept of an open science commons[1] while using a cloud hybrid model[2] as the proposed implementation solution. This approach allows leveraging and merging of complementary data intensive Earth Science disciplines (e.g. instrumentation[3] and modeling), without introducing significant changes in the contributors' operational set-up. Considering the seamless integration with life-science (e.g. EMBL), scientific exploitation of meteorological, climate, and Earth Observation data and models open an enormous potential for new big data science. The work of Helix Nebula has shown that is it feasible to interoperate publicly funded infrastructures, such as EGI [5] and GEANT [6], with commercial cloud services. Such hybrid systems are in the interest of the existing users of publicly funded infrastructures and funding agencies because they will provide "freedom and choice" over the type of computing resources to be consumed and the manner in which they can be obtained. But to offer such freedom and choice across a spectrum of suppliers, various issues such as intellectual property, legal responsibility, service quality agreements and related issues need to be addressed. Finding solutions to these issues is one of the goals of the Helix Nebula initiative. [1] http://www.egi.eu/news-and-media/publications/OpenScienceCommons_v3.pdf [2] http://www.helix-nebula.eu/events/towards-the-european-open-science-cloud [3] e.g. https://sentinel.esa.int/web/sentinel/sentinel-data-access [5] http://www.egi.eu/ [6] http://www.geant.net/

Using RxNorm for cross-institutional formulary data normalization within a distributed grid-computing environment.

PubMed

Wynden, Rob; Anderson, Nick; Casale, Marco; Lakshminarayanan, Prakash; Anderson, Kent; Prosser, Justin; Errecart, Larry; Livshits, Alice; Thimman, Tim; Weiner, Mark

2011-01-01

Within the CTSA (Clinical Translational Sciences Awards) program, academic medical centers are tasked with the storage of clinical formulary data within an Integrated Data Repository (IDR) and the subsequent exposure of that data over grid computing environments for hypothesis generation and cohort selection. Formulary data collected over long periods of time across multiple institutions requires normalization of terms before those data sets can be aggregated and compared. This paper sets forth a solution to the challenge of generating derived aggregated normalized views from large, distributed data sets of clinical formulary data intended for re-use within clinical translational research.

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

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

Runnels, Scott Robert; Caldwell, Wendy; Brown, Barton Jed

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transportmore » and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.« less

Factors influencing exemplary science teachers' levels of computer use

NASA Astrophysics Data System (ADS)

Hakverdi, Meral

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

A bioinformatics knowledge discovery in text application for grid computing

PubMed Central

Castellano, Marcello; Mastronardi, Giuseppe; Bellotti, Roberto; Tarricone, Gianfranco

2009-01-01

Background A fundamental activity in biomedical research is Knowledge Discovery which has the ability to search through large amounts of biomedical information such as documents and data. High performance computational infrastructures, such as Grid technologies, are emerging as a possible infrastructure to tackle the intensive use of Information and Communication resources in life science. The goal of this work was to develop a software middleware solution in order to exploit the many knowledge discovery applications on scalable and distributed computing systems to achieve intensive use of ICT resources. Methods The development of a grid application for Knowledge Discovery in Text using a middleware solution based methodology is presented. The system must be able to: perform a user application model, process the jobs with the aim of creating many parallel jobs to distribute on the computational nodes. Finally, the system must be aware of the computational resources available, their status and must be able to monitor the execution of parallel jobs. These operative requirements lead to design a middleware to be specialized using user application modules. It included a graphical user interface in order to access to a node search system, a load balancing system and a transfer optimizer to reduce communication costs. Results A middleware solution prototype and the performance evaluation of it in terms of the speed-up factor is shown. It was written in JAVA on Globus Toolkit 4 to build the grid infrastructure based on GNU/Linux computer grid nodes. A test was carried out and the results are shown for the named entity recognition search of symptoms and pathologies. The search was applied to a collection of 5,000 scientific documents taken from PubMed. Conclusion In this paper we discuss the development of a grid application based on a middleware solution. It has been tested on a knowledge discovery in text process to extract new and useful information about symptoms and pathologies from a large collection of unstructured scientific documents. As an example a computation of Knowledge Discovery in Database was applied on the output produced by the KDT user module to extract new knowledge about symptom and pathology bio-entities. PMID:19534749

A bioinformatics knowledge discovery in text application for grid computing.

PubMed

Castellano, Marcello; Mastronardi, Giuseppe; Bellotti, Roberto; Tarricone, Gianfranco

2009-06-16

A fundamental activity in biomedical research is Knowledge Discovery which has the ability to search through large amounts of biomedical information such as documents and data. High performance computational infrastructures, such as Grid technologies, are emerging as a possible infrastructure to tackle the intensive use of Information and Communication resources in life science. The goal of this work was to develop a software middleware solution in order to exploit the many knowledge discovery applications on scalable and distributed computing systems to achieve intensive use of ICT resources. The development of a grid application for Knowledge Discovery in Text using a middleware solution based methodology is presented. The system must be able to: perform a user application model, process the jobs with the aim of creating many parallel jobs to distribute on the computational nodes. Finally, the system must be aware of the computational resources available, their status and must be able to monitor the execution of parallel jobs. These operative requirements lead to design a middleware to be specialized using user application modules. It included a graphical user interface in order to access to a node search system, a load balancing system and a transfer optimizer to reduce communication costs. A middleware solution prototype and the performance evaluation of it in terms of the speed-up factor is shown. It was written in JAVA on Globus Toolkit 4 to build the grid infrastructure based on GNU/Linux computer grid nodes. A test was carried out and the results are shown for the named entity recognition search of symptoms and pathologies. The search was applied to a collection of 5,000 scientific documents taken from PubMed. In this paper we discuss the development of a grid application based on a middleware solution. It has been tested on a knowledge discovery in text process to extract new and useful information about symptoms and pathologies from a large collection of unstructured scientific documents. As an example a computation of Knowledge Discovery in Database was applied on the output produced by the KDT user module to extract new knowledge about symptom and pathology bio-entities.

A New Approach to A Science Magnet School - Classroom and Museum Integration

NASA Astrophysics Data System (ADS)

Franklin, Samuel

2009-03-01

The Pittsburgh Science & Technology Academy is a place where any student with an interest in science, technology, engineering or math can develop skills for a career in life sciences, environmental sciences, computing, or engineering. The Academy isn't just a new school. It's a new way to think about school. The curriculum is tailored to students who have a passion for science, technology, engineering or math. The environment is one of extraordinary support for students, parents, and faculty. And the Academy exists to provide opportunities, every day, for students to Dream. Discover. Design. That is, Academy students set goals and generate ideas, research and discover answers, and design real solutions for the kinds of real-world problems that they'll face after graduation. The Academy prepares students for their future, whether they go on to higher education or immediate employment. This talk will explain the unique features of the Pittsburgh Science & Technology Academy, lessons learned from its two-year design process, and the role that the Carnegie Museums have played and will continue to play as the school grows.

Introducing Enabling Computational Tools to the Climate Sciences: Multi-Resolution Climate Modeling with Adaptive Cubed-Sphere Grids

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

Jablonowski, Christiane

The research investigates and advances strategies how to bridge the scale discrepancies between local, regional and global phenomena in climate models without the prohibitive computational costs of global cloud-resolving simulations. In particular, the research explores new frontiers in computational geoscience by introducing high-order Adaptive Mesh Refinement (AMR) techniques into climate research. AMR and statically-adapted variable-resolution approaches represent an emerging trend for atmospheric models and are likely to become the new norm in future-generation weather and climate models. The research advances the understanding of multi-scale interactions in the climate system and showcases a pathway how to model these interactions effectively withmore » advanced computational tools, like the Chombo AMR library developed at the Lawrence Berkeley National Laboratory. The research is interdisciplinary and combines applied mathematics, scientific computing and the atmospheric sciences. In this research project, a hierarchy of high-order atmospheric models on cubed-sphere computational grids have been developed that serve as an algorithmic prototype for the finite-volume solution-adaptive Chombo-AMR approach. The foci of the investigations have lied on the characteristics of both static mesh adaptations and dynamically-adaptive grids that can capture flow fields of interest like tropical cyclones. Six research themes have been chosen. These are (1) the introduction of adaptive mesh refinement techniques into the climate sciences, (2) advanced algorithms for nonhydrostatic atmospheric dynamical cores, (3) an assessment of the interplay between resolved-scale dynamical motions and subgrid-scale physical parameterizations, (4) evaluation techniques for atmospheric model hierarchies, (5) the comparison of AMR refinement strategies and (6) tropical cyclone studies with a focus on multi-scale interactions and variable-resolution modeling. The results of this research project demonstrate significant advances in all six research areas. The major conclusions are that statically-adaptive variable-resolution modeling is currently becoming mature in the climate sciences, and that AMR holds outstanding promise for future-generation weather and climate models on high-performance computing architectures.« less

2015 USAFA Research Report: Discover Falcon Innovation

DTIC Science & Technology

2015-01-01

delivery system deployed from a canister. Their solution allows the canister to release hundreds of the sensors at the right angle and in waves so that...Computer Science at the Air Force Academy. The center develops sensors for the aircraft – it uses commercially available UAVs known as Haulers – to allow... sensors and software development, said Tim McCarthy, one of the co-founders of Aspect Robotics. During the last semester, Academy cadets in the

On the Future of Thermochemical Databases, the Development of Solution Models and the Practical Use of Computational Thermodynamics in Volcanology, Geochemistry and Petrology: Can Innovations of Modern Data Science Democratize an Oligarchy?

NASA Astrophysics Data System (ADS)

Ghiorso, M. S.

2014-12-01

Computational thermodynamics (CT) has now become an essential tool of petrologic and geochemical research. CT is the basis for the construction of phase diagrams, the application of geothermometers and geobarometers, the equilibrium speciation of solutions, the construction of pseudosections, calculations of mass transfer between minerals, melts and fluids, and, it provides a means of estimating materials properties for the evaluation of constitutive relations in fluid dynamical simulations. The practical application of CT to Earth science problems requires data. Data on the thermochemical properties and the equation of state of relevant materials, and data on the relative stability and partitioning of chemical elements between phases as a function of temperature and pressure. These data must be evaluated and synthesized into a self consistent collection of theoretical models and model parameters that is colloquially known as a thermodynamic database. Quantitative outcomes derived from CT reply on the existence, maintenance and integrity of thermodynamic databases. Unfortunately, the community is reliant on too few such databases, developed by a small number of research groups, and mostly under circumstances where refinement and updates to the database lag behind or are unresponsive to need. Given the increasing level of reliance on CT calculations, what is required is a paradigm shift in the way thermodynamic databases are developed, maintained and disseminated. They must become community resources, with flexible and assessable software interfaces that permit easy modification, while at the same time maintaining theoretical integrity and fidelity to the underlying experimental observations. Advances in computational and data science give us the tools and resources to address this problem, allowing CT results to be obtained at the speed of thought, and permitting geochemical and petrological intuition to play a key role in model development and calibration.

Performance assessment of KORAT-3D on the ANL IBM-SP computer

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

Alexeyev, A.V.; Zvenigorodskaya, O.A.; Shagaliev, R.M.

1999-09-01

The TENAR code is currently being developed at the Russian Federal Nuclear Center (VNIIEF) as a coupled dynamics code for the simulation of transients in VVER and RBMK systems and other nuclear systems. The neutronic module in this code system is KORAT-3D. This module is also one of the most computationally intensive components of the code system. A parallel version of KORAT-3D has been implemented to achieve the goal of obtaining transient solutions in reasonable computational time, particularly for RBMK calculations that involve the application of >100,000 nodes. An evaluation of the KORAT-3D code performance was recently undertaken on themore » Argonne National Laboratory (ANL) IBM ScalablePower (SP) parallel computer located in the Mathematics and Computer Science Division of ANL. At the time of the study, the ANL IBM-SP computer had 80 processors. This study was conducted under the auspices of a technical staff exchange program sponsored by the International Nuclear Safety Center (INSC).« less

Studies in nonlinear problems of energy. Final report

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

Matkowsky, B.J.

1998-12-01

The author completed a successful research program on Nonlinear Problems of Energy, with emphasis on combustion and flame propagation. A total of 183 papers associated with the grant has appeared in the literature, and the efforts have twice been recognized by DOE`s Basic Science Division for Top Accomplishment. In the research program the author concentrated on modeling, analysis and computation of combustion phenomena, with particular emphasis on the transition from laminar to turbulent combustion. Thus he investigated the nonlinear dynamics and pattern formation in the successive stages of transition. He described the stability of combustion waves, and transitions to wavesmore » exhibiting progressively higher degrees of spatio-temporal complexity. Combustion waves are characterized by large activation energies, so that chemical reactions are significant only in thin layers, termed reaction zones. In the limit of infinite activation energy, the zones shrink to moving surfaces, termed fronts, which must be found during the course of the analysis, so that the problems are moving free boundary problems. The analytical studies were carried out for the limiting case with fronts, while the numerical studies were carried out for the case of finite, though large, activation energy. Accurate resolution of the solution in the reaction zone(s) is essential, otherwise false predictions of dynamical behavior are possible. Since the reaction zones move, and their location is not known a-priori, the author has developed adaptive pseudo-spectral methods, which have proven to be very useful for the accurate, efficient computation of solutions of combustion, and other, problems. The approach is based on a combination of analytical and numerical methods. The numerical computations built on and extended the information obtained analytically. Furthermore, the solutions obtained analytically served as benchmarks for testing the accuracy of the solutions determined computationally. Finally, the computational results suggested new analysis to be considered. A cumulative list of publications citing the grant make up the contents of this report.« less

Dawn: A Simulation Model for Evaluating Costs and Tradeoffs of Big Data Science Architectures

NASA Astrophysics Data System (ADS)

Cinquini, L.; Crichton, D. J.; Braverman, A. J.; Kyo, L.; Fuchs, T.; Turmon, M.

2014-12-01

In many scientific disciplines, scientists and data managers are bracing for an upcoming deluge of big data volumes, which will increase the size of current data archives by a factor of 10-100 times. For example, the next Climate Model Inter-comparison Project (CMIP6) will generate a global archive of model output of approximately 10-20 Peta-bytes, while the upcoming next generation of NASA decadal Earth Observing instruments are expected to collect tens of Giga-bytes/day. In radio-astronomy, the Square Kilometre Array (SKA) will collect data in the Exa-bytes/day range, of which (after reduction and processing) around 1.5 Exa-bytes/year will be stored. The effective and timely processing of these enormous data streams will require the design of new data reduction and processing algorithms, new system architectures, and new techniques for evaluating computation uncertainty. Yet at present no general software tool or framework exists that will allow system architects to model their expected data processing workflow, and determine the network, computational and storage resources needed to prepare their data for scientific analysis. In order to fill this gap, at NASA/JPL we have been developing a preliminary model named DAWN (Distributed Analytics, Workflows and Numerics) for simulating arbitrary complex workflows composed of any number of data processing and movement tasks. The model can be configured with a representation of the problem at hand (the data volumes, the processing algorithms, the available computing and network resources), and is able to evaluate tradeoffs between different possible workflows based on several estimators: overall elapsed time, separate computation and transfer times, resulting uncertainty, and others. So far, we have been applying DAWN to analyze architectural solutions for 4 different use cases from distinct science disciplines: climate science, astronomy, hydrology and a generic cloud computing use case. This talk will present preliminary results and discuss how DAWN can be evolved into a powerful tool for designing system architectures for data intensive science.

Adventures in supercomputing: Scientific exploration in an era of change

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

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

1997-11-01

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

Understanding nanofluid stability through molecular simulation

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

Dang, Liem X.; Annapureddy, Harsha V.; Sun, Xiuquan

We performed molecular dynamics simulations to study solvation of a nanoparticle and nanoparticle-nanoparticle interactions in an n-hexane solution. Structural signatures are barely observed between the nanoparticle and n-hexane molecules because of weak binding and steric effects. The dynamic properties of the n-hexane molecule, on the other hand, are significantly influenced by the solvated nanoparticle. The diffusion of n-hexane molecules inside the nanoparticle is significantly decreased mainly because of the loss of dimensions of translation. Because one translational degree of freedom is lost by colliding with the wall of nanoparticle, the n-hexane molecules outside the nanoparticle diffuse 30% slower than themore » molecules in pure solution. The computed free energy profiles illustrate that the arrangement of the nanoparticles in bulk n-hexane solution are dependent on the orientation and functional group. We found that the n-hexane solvent exerts some effects on the interactions between the solvated nanoparticles. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences and by the Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.« less

Thermodynamic and transport properties of spiro-(1,1')-bipyrrolidinium tetrafluoroborate and acetonitrile mixtures: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Qing-Yin, Zhang; Peng, Xie; Xin, Wang; Xue-Wen, Yu; Zhi-Qiang, Shi; Shi-Huai, Zhao

2016-06-01

Organic salts such as spiro-(1,1')-bipyrrolidinium tetrafluoroborate ([SBP][BF4]) dissolved in liquid acetonitrile (ACN) are a new kind of organic salt solution, which is expected to be used as an electrolyte in electrical double layer capacitors (EDLCs). To explore the physicochemical properties of the solution, an all-atom force field is established on the basis of AMBER parameter values and quantum mechanical calculations. Molecular dynamics (MD) simulations are carried out to explore the liquid structure and physicochemical properties of [SBP][BF4] electrolyte at room temperature. The computed thermodynamic and transport properties match the available experimental results very well. The microscopic structures of [SBP][BF4] salt solution are also discussed in detail. The method used in this work provides an efficient way of predicting the properties of organic salt solvent as an electrolyte in EDLCs. Project supported by the National Natural Science Foundation of China (Grant Nos. 21476172 and 51172160), the National High Technology Research and Development Program of China (Grant No. 2013AA050905), and the Natural Science Foundation of Tianjin, China (Grant Nos. 12JCZDJC28400, 14RCHZGX00859, 14JCTPJC00484, and 14JCQNJC07200).

Computational Aeroheating Predictions for Mars Lander Configurations

NASA Technical Reports Server (NTRS)

Edquist, Karl T.; Alter, Stephen J.

2003-01-01

The proposed Mars Science Laboratory (MSL) mission is intended to deliver a large rover to the Martian surface within 10 km of the target site. This paper presents computational fluid dynamics (CFD) predictions of forebody heating rates for two MSL entry configurations with fixed aerodynamic trim tabs. Results are compared to heating on a 70-deg sphere-cone reference geometry. All three heatshield geometries are designed to trim hypersonically at a 16 deg angle of attack in order to generate the lift-to-drag ratio (L/D) required for precision landing. Comparisons between CFD and tunnel data are generally in good agreement for each configuration, but the computations predict more flow separation and higher heating on a trim tab inclined 10 deg relative to the surface. CFD solutions at flight conditions were obtained using an 8-species Mars gas in chemical and thermal nonequilibrium. Laminar and Baldwin-Lomax solutions were used to estimate the effects of the trim tabs and turbulence on heating. A tab extending smoothly from the heatshield flank is not predicted to increase laminar or turbulent heating rates above the reference levels. Laminar heating on a tab deflected 10 deg from the conical heatshield is influenced by flow separation and is up to 35% above the baseline heating rate. The turbulent solution on the inclined tab configuration predicts attached flow and a 43% heating increase above the reference level.

Computational Aeroheating Predictions for Mars Lander Configurations

NASA Technical Reports Server (NTRS)

Edquist, Karl T.; Alter, Stephen J.

2003-01-01

The proposed Mars Science Laboratory (MSL) mission is intended to deliver a large rover to the Martian surface within 10 km of the target site. This paper presents computational fluid dynamics (CFD) predictions of forebody heating rates for two MSL entry configurations with fixed aerodynamic trim tabs. Results are compared to heating on a 70-deg sphere-cone reference geometry. All three heatshield geometries are designed to trim hypersonically at a 16 deg angle of attack in order to generate the lift-to-drag ratio (LID) required for precision landing. Comparisons between CFD and tunnel data are generally in good agreement for each configuration, but the computations predict more flow separation and higher heating on a trim tab inclined 10 deg relative to the surface. CFD solutions at flight conditions were obtained using an 8-species Mars gas in chemical and thermal non-equilibrium. Laminar and Baldwin-Lomax solutions were used to estimate the effects of the trim tabs and turbulence on heating. A tab extending smoothly from the heatshield flank is not predicted to increase laminar or turbulent heating rates above the reference levels. Laminar heating on a tab deflected 10 deg from the conical heatshield is influenced by flow separation and is up to 35% above the baseline heating rate. The turbulent solution on the inclined tab configuration predicts attached flow and a 43% heating increase above the reference level.

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

Kornreich, Drew E; Vaidya, Rajendra U; Ammerman, Curtt N

Integrated Computational Materials Engineering (ICME) is a novel overarching approach to bridge length and time scales in computational materials science and engineering. This approach integrates all elements of multi-scale modeling (including various empirical and science-based models) with materials informatics to provide users the opportunity to tailor material selections based on stringent application needs. Typically, materials engineering has focused on structural requirements (stress, strain, modulus, fracture toughness etc.) while multi-scale modeling has been science focused (mechanical threshold strength model, grain-size models, solid-solution strengthening models etc.). Materials informatics (mechanical property inventories) on the other hand, is extensively data focused. All of thesemore » elements are combined within the framework of ICME to create architecture for the development, selection and design new composite materials for challenging environments. We propose development of the foundations for applying ICME to composite materials development for nuclear and high-radiation environments (including nuclear-fusion energy reactors, nuclear-fission reactors, and accelerators). We expect to combine all elements of current material models (including thermo-mechanical and finite-element models) into the ICME framework. This will be accomplished through the use of a various mathematical modeling constructs. These constructs will allow the integration of constituent models, which in tum would allow us to use the adaptive strengths of using a combinatorial scheme (fabrication and computational) for creating new composite materials. A sample problem where these concepts are used is provided in this summary.« less

Some Thoughts Regarding Practical Quantum Computing

NASA Astrophysics Data System (ADS)

Ghoshal, Debabrata; Gomez, Richard; Lanzagorta, Marco; Uhlmann, Jeffrey

2006-03-01

Quantum computing has become an important area of research in computer science because of its potential to provide more efficient algorithmic solutions to certain problems than are possible with classical computing. The ability of performing parallel operations over an exponentially large computational space has proved to be the main advantage of the quantum computing model. In this regard, we are particularly interested in the potential applications of quantum computers to enhance real software systems of interest to the defense, industrial, scientific and financial communities. However, while much has been written in popular and scientific literature about the benefits of the quantum computational model, several of the problems associated to the practical implementation of real-life complex software systems in quantum computers are often ignored. In this presentation we will argue that practical quantum computation is not as straightforward as commonly advertised, even if the technological problems associated to the manufacturing and engineering of large-scale quantum registers were solved overnight. We will discuss some of the frequently overlooked difficulties that plague quantum computing in the areas of memories, I/O, addressing schemes, compilers, oracles, approximate information copying, logical debugging, error correction and fault-tolerant computing protocols.

Leveraging the Power of High Performance Computing for Next Generation Sequencing Data Analysis: Tricks and Twists from a High Throughput Exome Workflow

PubMed Central

Wonczak, Stephan; Thiele, Holger; Nieroda, Lech; Jabbari, Kamel; Borowski, Stefan; Sinha, Vishal; Gunia, Wilfried; Lang, Ulrich; Achter, Viktor; Nürnberg, Peter

2015-01-01

Next generation sequencing (NGS) has been a great success and is now a standard method of research in the life sciences. With this technology, dozens of whole genomes or hundreds of exomes can be sequenced in rather short time, producing huge amounts of data. Complex bioinformatics analyses are required to turn these data into scientific findings. In order to run these analyses fast, automated workflows implemented on high performance computers are state of the art. While providing sufficient compute power and storage to meet the NGS data challenge, high performance computing (HPC) systems require special care when utilized for high throughput processing. This is especially true if the HPC system is shared by different users. Here, stability, robustness and maintainability are as important for automated workflows as speed and throughput. To achieve all of these aims, dedicated solutions have to be developed. In this paper, we present the tricks and twists that we utilized in the implementation of our exome data processing workflow. It may serve as a guideline for other high throughput data analysis projects using a similar infrastructure. The code implementing our solutions is provided in the supporting information files. PMID:25942438

Essentials and Perspectives of Computational Modelling Assistance for CNS-oriented Nanoparticle-based Drug Delivery Systems.

PubMed

Kisała, Joanna; Heclik, Kinga I; Pogocki, Krzysztof; Pogocki, Dariusz

2018-05-16

The blood-brain barrier (BBB) is a complex system controlling two-way substances traffic between circulatory (cardiovascular) system and central nervous system (CNS). It is almost perfectly crafted to regulate brain homeostasis and to permit selective transport of molecules that are essential for brain function. For potential drug candidates, the CNS-oriented neuropharmaceuticals as well as for those of primary targets in the periphery, the extent to which a substance in the circulation gains access to the CNS seems crucial. With the advent of nanopharmacology the problem of the BBB permeability for drug nano-carriers gains new significance. Compare to some other fields of medicinal chemistry, the computational science of nanodelivery is still prematured to offer the black-box type solutions, especially for the BBB-case. However, even its enormous complexity can be spell out the physical principles, and as such subjected to computation. Basic understanding of various physico-chemical parameters describing the brain uptake is required to take advantage of their usage for the BBB-nanodelivery. This mini-review provides a sketchy introduction into essential concepts allowing application of computational simulation to the BBB-nanodelivery design. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

An immersed boundary method for modeling a dirty geometry data

NASA Astrophysics Data System (ADS)

Onishi, Keiji; Tsubokura, Makoto

2017-11-01

We present a robust, fast, and low preparation cost immersed boundary method (IBM) for simulating an incompressible high Re flow around highly complex geometries. The method is achieved by the dispersion of the momentum by the axial linear projection and the approximate domain assumption satisfying the mass conservation around the wall including cells. This methodology has been verified against an analytical theory and wind tunnel experiment data. Next, we simulate the problem of flow around a rotating object and demonstrate the ability of this methodology to the moving geometry problem. This methodology provides the possibility as a method for obtaining a quick solution at a next large scale supercomputer. This research was supported by MEXT as ``Priority Issue on Post-K computer'' (Development of innovative design and production processes) and used computational resources of the K computer provided by the RIKEN Advanced Institute for Computational Science.

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

NASA Astrophysics Data System (ADS)

Stoilescu, Dorian; Egodawatte, Gunawardena

2010-12-01

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

Towards a Multi-Mission, Airborne Science Data System Environment

NASA Astrophysics Data System (ADS)

Crichton, D. J.; Hardman, S.; Law, E.; Freeborn, D.; Kay-Im, E.; Lau, G.; Oswald, J.

2011-12-01

NASA earth science instruments are increasingly relying on airborne missions. However, traditionally, there has been limited common infrastructure support available to principal investigators in the area of science data systems. As a result, each investigator has been required to develop their own computing infrastructures for the science data system. Typically there is little software reuse and many projects lack sufficient resources to provide a robust infrastructure to capture, process, distribute and archive the observations acquired from airborne flights. At NASA's Jet Propulsion Laboratory (JPL), we have been developing a multi-mission data system infrastructure for airborne instruments called the Airborne Cloud Computing Environment (ACCE). ACCE encompasses the end-to-end lifecycle covering planning, provisioning of data system capabilities, and support for scientific analysis in order to improve the quality, cost effectiveness, and capabilities to enable new scientific discovery and research in earth observation. This includes improving data system interoperability across each instrument. A principal characteristic is being able to provide an agile infrastructure that is architected to allow for a variety of configurations of the infrastructure from locally installed compute and storage services to provisioning those services via the "cloud" from cloud computer vendors such as Amazon.com. Investigators often have different needs that require a flexible configuration. The data system infrastructure is built on the Apache's Object Oriented Data Technology (OODT) suite of components which has been used for a number of spaceborne missions and provides a rich set of open source software components and services for constructing science processing and data management systems. In 2010, a partnership was formed between the ACCE team and the Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE) mission to support the data processing and data management needs. A principal goal is to provide support for the Fourier Transform Spectrometer (FTS) instrument which will produce over 700,000 soundings over the life of their three-year mission. The cost to purchase and operate a cluster-based system in order to generate Level 2 Full Physics products from this data was prohibitive. Through an evaluation of cloud computing solutions, Amazon's Elastic Compute Cloud (EC2) was selected for the CARVE deployment. As the ACCE infrastructure is developed and extended to form an infrastructure for airborne missions, the experience of working with CARVE has provided a number of lessons learned and has proven to be important in reinforcing the unique aspects of airborne missions and the importance of the ACCE infrastructure in developing a cost effective, flexible multi-mission capability that leverages emerging capabilities in cloud computing, workflow management, and distributed computing.

Solving Hard Computational Problems Efficiently: Asymptotic Parametric Complexity 3-Coloring Algorithm

PubMed Central

Martín H., José Antonio

2013-01-01

Many practical problems in almost all scientific and technological disciplines have been classified as computationally hard (NP-hard or even NP-complete). In life sciences, combinatorial optimization problems frequently arise in molecular biology, e.g., genome sequencing; global alignment of multiple genomes; identifying siblings or discovery of dysregulated pathways. In almost all of these problems, there is the need for proving a hypothesis about certain property of an object that can be present if and only if it adopts some particular admissible structure (an NP-certificate) or be absent (no admissible structure), however, none of the standard approaches can discard the hypothesis when no solution can be found, since none can provide a proof that there is no admissible structure. This article presents an algorithm that introduces a novel type of solution method to “efficiently” solve the graph 3-coloring problem; an NP-complete problem. The proposed method provides certificates (proofs) in both cases: present or absent, so it is possible to accept or reject the hypothesis on the basis of a rigorous proof. It provides exact solutions and is polynomial-time (i.e., efficient) however parametric. The only requirement is sufficient computational power, which is controlled by the parameter . Nevertheless, here it is proved that the probability of requiring a value of to obtain a solution for a random graph decreases exponentially: , making tractable almost all problem instances. Thorough experimental analyses were performed. The algorithm was tested on random graphs, planar graphs and 4-regular planar graphs. The obtained experimental results are in accordance with the theoretical expected results. PMID:23349711

Biomedical technology transfer applications of NASA science and technology

NASA Technical Reports Server (NTRS)

1972-01-01

The identification and solution of research and clinical problems in cardiovascular medicine which were investigated by means of biomedical data transfer are reported. The following are sample areas that were focused upon by the Stanford University Biomedical Technology Transfer Team: electrodes for hemiplegia research; vectorcardiogram computer analysis; respiration and phonation electrodes; radiotelemetry of intracranial pressure; and audiotransformation of the electrocardiographic signal. It is concluded that this biomedical technology transfer is significantly aiding present research in cardiovascular medicine.

Laboratory Directed Research and Development Annual Report for 2009

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

Hughes, Pamela J.

This report documents progress made on all LDRD-funded projects during fiscal year 2009. As a US Department of Energy (DOE) Office of Science (SC) national laboratory, Pacific Northwest National Laboratory (PNNL) has an enduring mission to bring molecular and environmental sciences and engineering strengths to bear on DOE missions and national needs. Their vision is to be recognized worldwide and valued nationally for leadership in accelerating the discovery and deployment of solutions to challenges in energy, national security, and the environment. To achieve this mission and vision, they provide distinctive, world-leading science and technology in: (1) the design and scalablemore » synthesis of materials and chemicals; (2) climate change science and emissions management; (3) efficient and secure electricity management from generation to end use; and (4) signature discovery and exploitation for threat detection and reduction. PNNL leadership also extends to operating EMSL: the Environmental Molecular Sciences Laboratory, a national scientific user facility dedicated to providing itnegrated experimental and computational resources for discovery and technological innovation in the environmental molecular sciences.« less

Scalable real space pseudopotential density functional codes for materials in the exascale regime

NASA Astrophysics Data System (ADS)

Lena, Charles; Chelikowsky, James; Schofield, Grady; Biller, Ariel; Kronik, Leeor; Saad, Yousef; Deslippe, Jack

Real-space pseudopotential density functional theory has proven to be an efficient method for computing the properties of matter in many different states and geometries, including liquids, wires, slabs, and clusters with and without spin polarization. Fully self-consistent solutions using this approach have been routinely obtained for systems with thousands of atoms. Yet, there are many systems of notable larger sizes where quantum mechanical accuracy is desired, but scalability proves to be a hindrance. Such systems include large biological molecules, complex nanostructures, or mismatched interfaces. We will present an overview of our new massively parallel algorithms, which offer improved scalability in preparation for exascale supercomputing. We will illustrate these algorithms by considering the electronic structure of a Si nanocrystal exceeding 104 atoms. Support provided by the SciDAC program, Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences. Grant Numbers DE-SC0008877 (Austin) and DE-FG02-12ER4 (Berkeley).

An Innovative, Multidisciplinary Educational Program in Interactive Information Storage and Retrieval. M.S. Thesis Final Report, 1 Jul. 1985 - 31 Dec. 1987

NASA Technical Reports Server (NTRS)

Dominick, Wayne D. (Editor); Gallagher, Mary C.

1985-01-01

There exists a large number of large-scale bibliographic Information Storage and Retrieval Systems containing large amounts of valuable data of interest in a wide variety of research applications. These systems are not used to capacity because the end users, i.e., the researchers, have not been trained in the techniques of accessing such systems. This thesis describes the development of a transportable, university-level course in methods of querying on-line interactive Information Storage and Retrieval systems as a solution to this problem. This course was designed to instruct upper division science and engineering students to enable these end users to directly access such systems. The course is designed to be taught by instructors who are not specialists in either computer science or research skills. It is independent of any particular IS and R system or computer hardware. The project is sponsored by NASA and conducted by the University of Southwestern Louisiana and Southern University.

Exploring the Relationships between Self-Efficacy and Preference for Teacher Authority among Computer Science Majors

ERIC Educational Resources Information Center

Lin, Che-Li; Liang, Jyh-Chong; Su, Yi-Ching; Tsai, Chin-Chung

2013-01-01

Teacher-centered instruction has been widely adopted in college computer science classrooms and has some benefits in training computer science undergraduates. Meanwhile, student-centered contexts have been advocated to promote computer science education. How computer science learners respond to or prefer the two types of teacher authority,…

The inhibition of methane hydrate formation by water alignment underneath surface adsorption of surfactants

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

Nguyen, Ngoc N.; Nguyen, Anh V.; Dang, Liem X.

Sodium dodecyl sulfate (SDS) has been widely shown to strongly promote the formation of methane hydrate. Here we show that SDS displays an extraordinary inhibition effect on methane hydrate formation when the surfactant is used in sub-millimolar concentration (around 0.3 mM). We have also employed Sum Frequency Generation vibrational spectroscopy (SFG) and molecular dynamics simulation (MDS) to elucidate the molecular mechanism of this inhibition. The SFG and MDS results revealed a strong alignment of water molecules underneath surface adsorption of SDS in its sub-millimolar solution. Interestingly, both the alignment of water and the inhibition effect (in 0.3 mM SDS solution)more » went vanishing when an oppositely-charged surfactant (tetra-n-butylammonium bromide, TBAB) was suitably added to produce a mixed solution of 0.3 mM SDS and 3.6 mM TBAB. Combining structural and kinetic results, we pointed out that the alignment of water underneath surface adsorption of dodecyl sulfate (DS-) anions gave rise to the unexpected inhibition of methane hydration formation in sub-millimolar solution of SDS. The adoption of TBAB mitigated the SDS-induced electrostatic field at the solution’s surface and, therefore, weakened the alignment of interfacial water which, in turn, erased the inhibition effect. We discussed this finding using the concept of activation energy of the interfacial formation of gas hydrate. The main finding of this work is to reveal the interplay of interfacial water in governing gas hydrate formation which sheds light on a universal molecular-scale understanding of the influence of surfactants on gas hydrate formation. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

Computational Infrastructure for Geodynamics (CIG)

NASA Astrophysics Data System (ADS)

Gurnis, M.; Kellogg, L. H.; Bloxham, J.; Hager, B. H.; Spiegelman, M.; Willett, S.; Wysession, M. E.; Aivazis, M.

2004-12-01

Solid earth geophysicists have a long tradition of writing scientific software to address a wide range of problems. In particular, computer simulations came into wide use in geophysics during the decade after the plate tectonic revolution. Solution schemes and numerical algorithms that developed in other areas of science, most notably engineering, fluid mechanics, and physics, were adapted with considerable success to geophysics. This software has largely been the product of individual efforts and although this approach has proven successful, its strength for solving problems of interest is now starting to show its limitations as we try to share codes and algorithms or when we want to recombine codes in novel ways to produce new science. With funding from the NSF, the US community has embarked on a Computational Infrastructure for Geodynamics (CIG) that will develop, support, and disseminate community-accessible software for the greater geodynamics community from model developers to end-users. The software is being developed for problems involving mantle and core dynamics, crustal and earthquake dynamics, magma migration, seismology, and other related topics. With a high level of community participation, CIG is leveraging state-of-the-art scientific computing into a suite of open-source tools and codes. The infrastructure that we are now starting to develop will consist of: (a) a coordinated effort to develop reusable, well-documented and open-source geodynamics software; (b) the basic building blocks - an infrastructure layer - of software by which state-of-the-art modeling codes can be quickly assembled; (c) extension of existing software frameworks to interlink multiple codes and data through a superstructure layer; (d) strategic partnerships with the larger world of computational science and geoinformatics; and (e) specialized training and workshops for both the geodynamics and broader Earth science communities. The CIG initiative has already started to leverage and develop long-term strategic partnerships with open source development efforts within the larger thrusts of scientific computing and geoinformatics. These strategic partnerships are essential as the frontier has moved into multi-scale and multi-physics problems in which many investigators now want to use simulation software for data interpretation, data assimilation, and hypothesis testing.

Academic computer science and gender: A naturalistic study investigating the causes of attrition

NASA Astrophysics Data System (ADS)

Declue, Timothy Hall

Far fewer women than men take computer science classes in high school, enroll in computer science programs in college, or complete advanced degrees in computer science. The computer science pipeline begins to shrink for women even before entering college, but it is at the college level that the "brain drain" is the most evident numerically, especially in the first class taken by most computer science majors called "Computer Science 1" or CS-I. The result, for both academia and industry, is a pronounced technological gender disparity in academic and industrial computer science. The study revealed the existence of several factors influencing success in CS-I. First, and most clearly, the effect of attribution processes seemed to be quite strong. These processes tend to work against success for females and in favor of success for males. Likewise, evidence was discovered which strengthens theories related to prior experience and the perception that computer science has a culture which is hostile to females. Two unanticipated themes related to the motivation and persistence of successful computer science majors. The findings did not support the belief that females have greater logistical problems in computer science than males, or that females tend to have a different programming style than males which adversely affects the females' ability to succeed in CS-I.

Deployment and Operational Experiences with CernVM-FS at the GridKa Tier-1 Center

NASA Astrophysics Data System (ADS)

Alef, Manfred; Jäger, Axel; Petzold and, Andreas; Verstege, Bernhard

2012-12-01

In 2012 the GridKa Tier-1 computing center hosts 130 kHS06 computing resources and 14PB disk and 17PB tape space. These resources are shared between the four LHC VOs and a number of national and international VOs from high energy physics and other sciences. CernVM-FS has been deployed at GridKa to supplement the existing NFS-based system to access VO software on the worker nodes. It provides a solution tailored to the requirement of the LHC VOs. We will focus on the first operational experiences and the monitoring of CernVM-FS on the worker nodes and the squid caches.

METLIN-PC: An applications-program package for problems of mathematical programming

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

Pshenichnyi, B.N.; Sobolenko, L.A.; Sosnovskii, A.A.

1994-05-01

The METLIN-PC applications-program package (APP) was developed at the V.M. Glushkov Institute of Cybernetics of the Academy of Sciences of Ukraine on IBM PC XT and AT computers. The present version of the package was written in Turbo Pascal and Fortran-77. The METLIN-PC is chiefly designed for the solution of smooth problems of mathematical programming and is a further development of the METLIN prototype, which was created earlier on a BESM-6 computer. The principal property of the previous package is retained - the applications modules employ a single approach based on the linearization method of B.N. Pschenichnyi. Hence the namemore » {open_quotes}METLIN.{close_quotes}« less

Ultrascale Visualization of Climate Data

NASA Technical Reports Server (NTRS)

Williams, Dean N.; Bremer, Timo; Doutriaux, Charles; Patchett, John; Williams, Sean; Shipman, Galen; Miller, Ross; Pugmire, David R.; Smith, Brian; Steed, Chad;

Rigorous derivation of porous-media phase-field equations

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Kalliadasis, Serafim

2017-11-01

The evolution of interfaces in Complex heterogeneous Multiphase Systems (CheMSs) plays a fundamental role in a wide range of scientific fields such as thermodynamic modelling of phase transitions, materials science, or as a computational tool for interfacial flow studies or material design. Here, we focus on phase-field equations in CheMSs such as porous media. To the best of our knowledge, we present the first rigorous derivation of error estimates for fourth order, upscaled, and nonlinear evolution equations. For CheMs with heterogeneity ɛ, we obtain the convergence rate ɛ 1 / 4 , which governs the error between the solution of the new upscaled formulation and the solution of the microscopic phase-field problem. This error behaviour has recently been validated computationally in. Due to the wide range of application of phase-field equations, we expect this upscaled formulation to allow for new modelling, analytic, and computational perspectives for interfacial transport and phase transformations in CheMSs. This work was supported by EPSRC, UK, through Grant Nos. EP/H034587/1, EP/L027186/1, EP/L025159/1, EP/L020564/1, EP/K008595/1, and EP/P011713/1 and from ERC via Advanced Grant No. 247031.

Evaluation of Proteus as a Tool for the Rapid Development of Models of Hydrologic Systems

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Farthing, M. W.; Kees, C. E.; Miller, C. T.

2013-12-01

Models of modern hydrologic systems can be complex and involve a variety of operators with varying character. The goal is to implement approximations of such models that are both efficient for the developer and computationally efficient, which is a set of naturally competing objectives. Proteus is a Python-based toolbox that supports prototyping of model formulations as well as a wide variety of modern numerical methods and parallel computing. We used Proteus to develop numerical approximations for three models: Richards' equation, a brine flow model derived using the Thermodynamically Constrained Averaging Theory (TCAT), and a multiphase TCAT-based tumor growth model. For Richards' equation, we investigated discontinuous Galerkin solutions with higher order time integration based on the backward difference formulas. The TCAT brine flow model was implemented using Proteus and a variety of numerical methods were compared to hand coded solutions. Finally, an existing tumor growth model was implemented in Proteus to introduce more advanced numerics and allow the code to be run in parallel. From these three example models, Proteus was found to be an attractive open-source option for rapidly developing high quality code for solving existing and evolving computational science models.

DOE Network 2025: Network Research Problems and Challenges for DOE Scientists. Workshop Report

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

None, None

2016-02-01

The growing investments in large science instruments and supercomputers by the US Department of Energy (DOE) hold enormous promise for accelerating the scientific discovery process. They facilitate unprecedented collaborations of geographically dispersed teams of scientists that use these resources. These collaborations critically depend on the production, sharing, moving, and management of, as well as interactive access to, large, complex data sets at sites dispersed across the country and around the globe. In particular, they call for significant enhancements in network capacities to sustain large data volumes and, equally important, the capabilities to collaboratively access the data across computing, storage, andmore » instrument facilities by science users and automated scripts and systems. Improvements in network backbone capacities of several orders of magnitude are essential to meet these challenges, in particular, to support exascale initiatives. Yet, raw network speed represents only a part of the solution. Indeed, the speed must be matched by network and transport layer protocols and higher layer tools that scale in ways that aggregate, compose, and integrate the disparate subsystems into a complete science ecosystem. Just as important, agile monitoring and management services need to be developed to operate the network at peak performance levels. Finally, these solutions must be made an integral part of the production facilities by using sound approaches to develop, deploy, diagnose, operate, and maintain them over the science infrastructure.« less

What is Data-Intensive Science?

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

Critchlow, Terence J.; Kleese van Dam, Kerstin

2013-06-03

What is Data Intensive Science? Today we are living in a digital world, where scientists often no longer interact directly with the physical object of their research, but do so via digitally captured, reduced, calibrated, analyzed, synthesized and, at times, visualized data. Advances in experimental and computational technologies have lead to an exponential growth in the volumes, variety and complexity of this data and while the deluge is not happening everywhere in an absolute sense, it is in a relative one. Science today is data intensive. Data intensive science has the potential to transform not only how we do science,more » but how quickly we can translate scientific progress into complete solutions, policies, decisions and ultimately economic success. Critically, data intensive science touches some of the most important challenges we are facing. Consider a few of the grand challenges outlined by the U.S. National Academy of Engineering: make solar energy economical, provide energy from fusion, develop carbon sequestration methods, advance health informatics, engineer better medicines, secure cyberspace, and engineer the tools of scientific discovery. Arguably, meeting any of these challenges requires the collaborative effort of trans-disciplinary teams, but also significant contributions from enabling data intensive technologies. Indeed for many of them, advances in data intensive research will be the single most important factor in developing successful and timely solutions. Simple extrapolations of how we currently interact with and utilize data and knowledge are not sufficient to meet this need. Given the importance of these challenges, a new, bold vision for the role of data in science, and indeed how research will be conducted in a data intensive environment is evolving.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

DOE PAGES

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; ...

2017-10-25

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

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

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

NASA Astrophysics Data System (ADS)

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; Haynes, J. Allen

2017-12-01

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ‧-Al2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviour of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. The approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.

Introducing Computational Approaches in Intermediate Mechanics

NASA Astrophysics Data System (ADS)

Cook, David M.

2006-12-01

In the winter of 2003, we at Lawrence University moved Lagrangian mechanics and rigid body dynamics from a required sophomore course to an elective junior/senior course, freeing 40% of the time for computational approaches to ordinary differential equations (trajectory problems, the large amplitude pendulum, non-linear dynamics); evaluation of integrals (finding centers of mass and moment of inertia tensors, calculating gravitational potentials for various sources); and finding eigenvalues and eigenvectors of matrices (diagonalizing the moment of inertia tensor, finding principal axes), and to generating graphical displays of computed results. Further, students begin to use LaTeX to prepare some of their submitted problem solutions. Placed in the middle of the sophomore year, this course provides the background that permits faculty members as appropriate to assign computer-based exercises in subsequent courses. Further, students are encouraged to use our Computational Physics Laboratory on their own initiative whenever that use seems appropriate. (Curricular development supported in part by the W. M. Keck Foundation, the National Science Foundation, and Lawrence University.)

omniClassifier: a Desktop Grid Computing System for Big Data Prediction Modeling

PubMed Central

Phan, John H.; Kothari, Sonal; Wang, May D.

2016-01-01

Robust prediction models are important for numerous science, engineering, and biomedical applications. However, best-practice procedures for optimizing prediction models can be computationally complex, especially when choosing models from among hundreds or thousands of parameter choices. Computational complexity has further increased with the growth of data in these fields, concurrent with the era of “Big Data”. Grid computing is a potential solution to the computational challenges of Big Data. Desktop grid computing, which uses idle CPU cycles of commodity desktop machines, coupled with commercial cloud computing resources can enable research labs to gain easier and more cost effective access to vast computing resources. We have developed omniClassifier, a multi-purpose prediction modeling application that provides researchers with a tool for conducting machine learning research within the guidelines of recommended best-practices. omniClassifier is implemented as a desktop grid computing system using the Berkeley Open Infrastructure for Network Computing (BOINC) middleware. In addition to describing implementation details, we use various gene expression datasets to demonstrate the potential scalability of omniClassifier for efficient and robust Big Data prediction modeling. A prototype of omniClassifier can be accessed at http://omniclassifier.bme.gatech.edu/. PMID:27532062

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

ERIC Educational Resources Information Center

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

2010-01-01

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

The environmental virtual observatory pilot (EVOp): a cloud solution demonstrating effective science for efficient decisions

NASA Astrophysics Data System (ADS)

Gurney, R. J.; Emmett, B.; McDonald, A.

2012-12-01

Environmental managers and policy makers face a challenging future trying to accommodate growing expectations of environmental well-being, while subject to maturing regulation, constrained budgets and a public scrutiny that expects easier and more meaningful access to data and decision logic. To support such a challenge requires new tools and new approaches. The EVOp is an initiative from the UK Natural Environment Research Council (NERC) designed to deliver proof of concept for these new tools and approaches. A series of exemplar 'big catchment science questions' are posed and the prospects for their solution are assessed. These are then used to develop cloud solutions for serving data, models, visualisation and analysis tools to scientists, regulators, private companies and the public, all of whom have different expectations of what environmental information is important. Approaches are tested regularly with users using SCRUM. The VO vision encompasses seven key ambitions: i. being driven by the need to contribute to the solution of major environmental issues that impinge on, or link to, catchment science ii. having the flexibility and adaptability to address future problems not yet defined or fully clarified iii. being able to communicate issues and solutions to a range of audiences iv. supporting easy access by a variety of users v. drawing meaningful information from data and models and identifying the constraints on application in terms of errors, uncertainties, etc vi. adding value and cost effectiveness to current investigations by supporting transfer and scale adjustment thus limiting the repetition of expensive field monitoring addressing essentially the same issues in varying locations vii. promoting effective interfacing of robust science with a variety of end users by using terminology or measures familiar to the user (or required by regulation), including financial and carbon accounting, whole life or fixed period costing, risk as probability or as disability adjusted life years/ etc as appropriate Architectures pivotal to communicating these ambitions are presented. Cloud computing facilitates the required interoperability across data sets, models, visualisations etc. There are also additional legal, security, culrural and standards barriers that need to be solved before such a cloud becomes operational.

FOREWORD: Third Nordic Symposium on Computer Simulation in Physics, Chemistry, Biology and Mathematics

NASA Astrophysics Data System (ADS)

Kaski, K.; Salomaa, M.

1990-01-01

These are Proceedings of the Third Nordic Symposium on Computer Simulation in Physics, Chemistry, Biology, and Mathematics, held August 25-26, 1989, at Lahti (Finland). The Symposium belongs to an annual series of Meetings, the first one of which was arranged in 1987 at Lund (Sweden) and the second one in 1988 at Kolle-Kolle near Copenhagen (Denmark). Although these Symposia have thus far been essentially Nordic events, their international character has increased significantly; the trend is vividly reflected through contributions in the present Topical Issue. The interdisciplinary nature of Computational Science is central to the activity; this fundamental aspect is also responsible, in an essential way, for its rapidly increasing impact. Crucially important to a wide spectrum of superficially disparate fields is the common need for extensive - and often quite demanding - computational modelling. For such theoretical models, no closed-form (analytical) solutions are available or they would be extremely difficult to find; hence one must rather resort to the Art of performing computational investigations. Among the unifying features in the computational research are the methods of simulation employed; methods which frequently are quite closely related with each other even for faculties of science that are quite unrelated. Computer simulation in Natural Sciences is presently apprehended as a discipline on its own right, occupying a broad region somewhere between the experimental and theoretical methods, but also partially overlapping with and complementing them. - Whichever its proper definition may be, the computational approach serves as a novel and an extremely versatile tool with which one can equally well perform "pure" experimental modelling and conduct "computational theory". Computational studies that have earlier been made possible only through supercomputers have opened unexpected, as well as exciting, novel frontiers equally in mathematics (e.g., fractals), physics (fluid-dynamical and quantum-mechanical calculations; extensive numerical simulations of various condensed-matter systems; the development of stellar constellations, even the early Universe), chemistry (quantum-chemical calculations on the structures of new chemical compounds; chemical reactions and reaction dynamics), and biology (various models, for example, in population dynamics). We succeeded in our effort to assemble several internationally recognized researchers of Computational Science to deliver invited talks on a couple of exceptionally beautiful late-summer days in the modern premises of the Adult Education Center at Lahti. Among the plenary speakers, Per Bak described his highly original work on self-organized criticality. David Ceperley discussed pioneering numerical simulations of superfluid helium in which, for the first time, Feynman's path-integral formulation of quantum mechanics has been implemented on a computer. Jim Gunton presented his comprehensive studies of the Cahn-Hilliard equation for the dynamics of ordering in a condensed-matter system far from equilibrium, while Alex Hansen explained those on nonlinear breakdown in disordered materials. Representing the important field of computational chemistry, Bo Jönsson dealt with attractive forces between polyelectrolytes. Kurt Kremer gave an interesting account on computer-simulation studies of complex polymer systems, while Ole Mouritsen reviewed studies of interfacial fluctuations in lipid membranes. Pekka Pyykkö introduced his pioneering work which has led to predictions of completely novel chemical species. Annette Zippelius gave an expert introduction to the highly active field of neural networks. It is evident from each of these intriguing plenary contributions that, indeed, the computational approach is a frontier field of science, possibly providing the most versatile research method available today. We also arranged a competition for the best Posters presented at the Symposium; the Prizes were some of the newest books on the beauty of fractals. The First Prize was won by Hanna Viertio, the Second Prize by Miguel Zendejas and the Third Prize was shared by Leo Kärkkäinen and Kari Rummukainen. As for the future of Computational Science, we identify two principal avenues: (a) big science - large centers with ultrafast supercomputers, and (b) small science - active groups utilizing personal minisupercomputers or supenvorkstations. At present, it appears that the latter already compete extremely favourably in their performance with the massive supercomputers - at least in their throughput and, especially, in tasks where a broad range of diverse software support is not absolutely necessary. In view of this important emergence of "personal supercomputing", we envisage that the role and the development of large computer centers will have to be reviewed critically and modified accordingly. Furthermore, a promise for some radically new approaches to Computational Science could be provided by massively parallel computers; among them, maybe solutions based on ideas of neural computing could be utilized, especially for restricted applications. Therefore, in order not to overlook any important advances within such a forefront field, one should rather choose the strategy of actively following each and every one of these routes. In perspective of the large variety of simultaneous developments, we want to emphasize the importance of Nordic collaboration in sharing expertise and experience in the rapidly progressing research - it ought to be cultivated and could be expanded. Therefore, we think that it is vitally important to continue with and to further promote the kind of Nordic Symposia that have been held at Lund, Kolle-Kolle, and Lahti. We want to thank most cordially the plenary and invited speakers, contributors, students, and in particular the Conference Secretary, Ms Ulla Ahlfors and Dr Milja Mäkelä, who was responsible for the local arrangements. The work that they did served to make this Symposium a scientific success and a useful and pleasant experience for all the well over 100 participants. We also thank the City of Lahti for kindly arranging a refreshing reception at the Town Hall. We wish to express our gratitude to Nordiska Kulturfonden, NORDITA, the Research Institute for Theoretical Physics at the University of Helsinki, the Finnish Ministry of Education and the Academy of Finland for their financial support. March 1990

What is data ethics?

PubMed Central

2016-01-01

This theme issue has the founding ambition of landscaping data ethics as a new branch of ethics that studies and evaluates moral problems related to data (including generation, recording, curation, processing, dissemination, sharing and use), algorithms (including artificial intelligence, artificial agents, machine learning and robots) and corresponding practices (including responsible innovation, programming, hacking and professional codes), in order to formulate and support morally good solutions (e.g. right conducts or right values). Data ethics builds on the foundation provided by computer and information ethics but, at the same time, it refines the approach endorsed so far in this research field, by shifting the level of abstraction of ethical enquiries, from being information-centric to being data-centric. This shift brings into focus the different moral dimensions of all kinds of data, even data that never translate directly into information but can be used to support actions or generate behaviours, for example. It highlights the need for ethical analyses to concentrate on the content and nature of computational operations—the interactions among hardware, software and data—rather than on the variety of digital technologies that enable them. And it emphasizes the complexity of the ethical challenges posed by data science. Because of such complexity, data ethics should be developed from the start as a macroethics, that is, as an overall framework that avoids narrow, ad hoc approaches and addresses the ethical impact and implications of data science and its applications within a consistent, holistic and inclusive framework. Only as a macroethics will data ethics provide solutions that can maximize the value of data science for our societies, for all of us and for our environments. This article is part of the themed issue ‘The ethical impact of data science’. PMID:28336805

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

ERIC Educational Resources Information Center

Zendler, Andreas; Klaudt, Dieter

2012-01-01

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

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

NASA Astrophysics Data System (ADS)

Mrugalla, Florian; Kast, Stefan M.

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory.

PubMed

Mrugalla, Florian; Kast, Stefan M

2016-09-01

Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute-solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute-solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems.

Quantum lattice model solver HΦ

NASA Astrophysics Data System (ADS)

Kawamura, Mitsuaki; Yoshimi, Kazuyoshi; Misawa, Takahiro; Yamaji, Youhei; Todo, Synge; Kawashima, Naoki

2017-08-01

HΦ [aitch-phi ] is a program package based on the Lanczos-type eigenvalue solution applicable to a broad range of quantum lattice models, i.e., arbitrary quantum lattice models with two-body interactions, including the Heisenberg model, the Kitaev model, the Hubbard model and the Kondo-lattice model. While it works well on PCs and PC-clusters, HΦ also runs efficiently on massively parallel computers, which considerably extends the tractable range of the system size. In addition, unlike most existing packages, HΦ supports finite-temperature calculations through the method of thermal pure quantum (TPQ) states. In this paper, we explain theoretical background and user-interface of HΦ. We also show the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA (Sekirei) at the Institute for the Solid State Physics (ISSP).

Using spatial principles to optimize distributed computing for enabling the physical science discoveries

PubMed Central

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-01-01

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century. PMID:21444779

Using spatial principles to optimize distributed computing for enabling the physical science discoveries.

PubMed

Yang, Chaowei; Wu, Huayi; Huang, Qunying; Li, Zhenlong; Li, Jing

2011-04-05

Contemporary physical science studies rely on the effective analyses of geographically dispersed spatial data and simulations of physical phenomena. Single computers and generic high-end computing are not sufficient to process the data for complex physical science analysis and simulations, which can be successfully supported only through distributed computing, best optimized through the application of spatial principles. Spatial computing, the computing aspect of a spatial cyberinfrastructure, refers to a computing paradigm that utilizes spatial principles to optimize distributed computers to catalyze advancements in the physical sciences. Spatial principles govern the interactions between scientific parameters across space and time by providing the spatial connections and constraints to drive the progression of the phenomena. Therefore, spatial computing studies could better position us to leverage spatial principles in simulating physical phenomena and, by extension, advance the physical sciences. Using geospatial science as an example, this paper illustrates through three research examples how spatial computing could (i) enable data intensive science with efficient data/services search, access, and utilization, (ii) facilitate physical science studies with enabling high-performance computing capabilities, and (iii) empower scientists with multidimensional visualization tools to understand observations and simulations. The research examples demonstrate that spatial computing is of critical importance to design computing methods to catalyze physical science studies with better data access, phenomena simulation, and analytical visualization. We envision that spatial computing will become a core technology that drives fundamental physical science advancements in the 21st century.

The 6th International Conference on Computer Science and Computational Mathematics (ICCSCM 2017)

NASA Astrophysics Data System (ADS)

2017-09-01

The ICCSCM 2017 (The 6th International Conference on Computer Science and Computational Mathematics) has aimed to provide a platform to discuss computer science and mathematics related issues including Algebraic Geometry, Algebraic Topology, Approximation Theory, Calculus of Variations, Category Theory; Homological Algebra, Coding Theory, Combinatorics, Control Theory, Cryptology, Geometry, Difference and Functional Equations, Discrete Mathematics, Dynamical Systems and Ergodic Theory, Field Theory and Polynomials, Fluid Mechanics and Solid Mechanics, Fourier Analysis, Functional Analysis, Functions of a Complex Variable, Fuzzy Mathematics, Game Theory, General Algebraic Systems, Graph Theory, Group Theory and Generalizations, Image Processing, Signal Processing and Tomography, Information Fusion, Integral Equations, Lattices, Algebraic Structures, Linear and Multilinear Algebra; Matrix Theory, Mathematical Biology and Other Natural Sciences, Mathematical Economics and Financial Mathematics, Mathematical Physics, Measure Theory and Integration, Neutrosophic Mathematics, Number Theory, Numerical Analysis, Operations Research, Optimization, Operator Theory, Ordinary and Partial Differential Equations, Potential Theory, Real Functions, Rings and Algebras, Statistical Mechanics, Structure Of Matter, Topological Groups, Wavelets and Wavelet Transforms, 3G/4G Network Evolutions, Ad-Hoc, Mobile, Wireless Networks and Mobile Computing, Agent Computing & Multi-Agents Systems, All topics related Image/Signal Processing, Any topics related Computer Networks, Any topics related ISO SC-27 and SC- 17 standards, Any topics related PKI(Public Key Intrastructures), Artifial Intelligences(A.I.) & Pattern/Image Recognitions, Authentication/Authorization Issues, Biometric authentication and algorithms, CDMA/GSM Communication Protocols, Combinatorics, Graph Theory, and Analysis of Algorithms, Cryptography and Foundation of Computer Security, Data Base(D.B.) Management & Information Retrievals, Data Mining, Web Image Mining, & Applications, Defining Spectrum Rights and Open Spectrum Solutions, E-Comerce, Ubiquitous, RFID, Applications, Fingerprint/Hand/Biometrics Recognitions and Technologies, Foundations of High-performance Computing, IC-card Security, OTP, and Key Management Issues, IDS/Firewall, Anti-Spam mail, Anti-virus issues, Mobile Computing for E-Commerce, Network Security Applications, Neural Networks and Biomedical Simulations, Quality of Services and Communication Protocols, Quantum Computing, Coding, and Error Controls, Satellite and Optical Communication Systems, Theory of Parallel Processing and Distributed Computing, Virtual Visions, 3-D Object Retrievals, & Virtual Simulations, Wireless Access Security, etc. The success of ICCSCM 2017 is reflected in the received papers from authors around the world from several countries which allows a highly multinational and multicultural idea and experience exchange. The accepted papers of ICCSCM 2017 are published in this Book. Please check http://www.iccscm.com for further news. A conference such as ICCSCM 2017 can only become successful using a team effort, so herewith we want to thank the International Technical Committee and the Reviewers for their efforts in the review process as well as their valuable advices. We are thankful to all those who contributed to the success of ICCSCM 2017. The Secretary

A Financial Technology Entrepreneurship Program for Computer Science Students

ERIC Educational Resources Information Center

Lawler, James P.; Joseph, Anthony

2011-01-01

Education in entrepreneurship is becoming a critical area of curricula for computer science students. Few schools of computer science have a concentration in entrepreneurship in the computing curricula. The paper presents Technology Entrepreneurship in the curricula at a leading school of computer science and information systems, in which students…

DataHub: Science data management in support of interactive exploratory analysis

NASA Technical Reports Server (NTRS)

Handley, Thomas H., Jr.; Rubin, Mark R.

1993-01-01

The DataHub addresses four areas of significant needs: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded within the DataHub is the integration of three technologies, viz. knowledge-based expert systems, science visualization, and science data management. This integration is based on a concept called the DataHub. With the DataHub concept, science investigators are able to apply a more complete solution to all nodes of a distributed system. Both computational nodes and interactives nodes are able to effectively and efficiently use the data services (access, retrieval, update, etc), in a distributed, interdisciplinary information system in a uniform and standard way. This allows the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to information. The DataHub includes all the required end-to-end components and interfaces to demonstrate the complete concept.

DataHub - Science data management in support of interactive exploratory analysis

NASA Technical Reports Server (NTRS)

Handley, Thomas H., Jr.; Rubin, Mark R.

1993-01-01

DataHub addresses four areas of significant need: scientific visualization and analysis; science data management; interactions in a distributed, heterogeneous environment; and knowledge-based assistance for these functions. The fundamental innovation embedded within the DataHub is the integration of three technologies, viz. knowledge-based expert systems, science visualization, and science data management. This integration is based on a concept called the DataHub. With the DataHub concept, science investigators are able to apply a more complete solution to all nodes of a distributed system. Both computational nodes and interactive nodes are able to effectively and efficiently use the data services (access, retrieval, update, etc.) in a distributed, interdisciplinary information system in a uniform and standard way. This allows the science investigators to concentrate on their scientific endeavors, rather than to involve themselves in the intricate technical details of the systems and tools required to accomplish their work. Thus, science investigators need not be programmers. The emphasis is on the definition and prototyping of system elements with sufficient detail to enable data analysis and interpretation leading to information. The DataHub includes all the required end-to-end components and interfaces to demonstrate the complete concept.

Computer Science Teacher Professional Development in the United States: A Review of Studies Published between 2004 and 2014

ERIC Educational Resources Information Center

Menekse, Muhsin

2015-01-01

While there has been a remarkable interest to make computer science a core K-12 academic subject in the United States, there is a shortage of K-12 computer science teachers to successfully implement computer sciences courses in schools. In order to enhance computer science teacher capacity, training programs have been offered through teacher…

Quantitative prediction of solute strengthening in aluminium alloys.

PubMed

Leyson, Gerard Paul M; Curtin, William A; Hector, Louis G; Woodward, Christopher F

2010-09-01

Despite significant advances in computational materials science, a quantitative, parameter-free prediction of the mechanical properties of alloys has been difficult to achieve from first principles. Here, we present a new analytic theory that, with input from first-principles calculations, is able to predict the strengthening of aluminium by substitutional solute atoms. Solute-dislocation interaction energies in and around the dislocation core are first calculated using density functional theory and a flexible-boundary-condition method. An analytic model for the strength, or stress to move a dislocation, owing to the random field of solutes, is then presented. The theory, which has no adjustable parameters and is extendable to other metallic alloys, predicts both the energy barriers to dislocation motion and the zero-temperature flow stress, allowing for predictions of finite-temperature flow stresses. Quantitative comparisons with experimental flow stresses at temperature T=78 K are made for Al-X alloys (X=Mg, Si, Cu, Cr) and good agreement is obtained.

Combustion and Carbon Cycle 2.0 and Computation in CC 2.0 (Carbon Cycle 2.0)

ScienceCinema

Cheng, Robert K.; Meza, Juan

2018-05-04

Robert Cheng and Juan Meza provide two presentations in one session at the Carbon Cycle 2.0 kick-off symposium Feb. 3, 2010. We emit more carbon into the atmosphere than natural processes are able to remove - an imbalance with negative consequences. Carbon Cycle 2.0 is a Berkeley Lab initiative to provide the science needed to restore this balance by integrating the Labs diverse research activities and delivering creative solutions toward a carbon-neutral energy future.

Differential invariants in nonclassical models of hydrodynamics

NASA Astrophysics Data System (ADS)

Bublik, Vasily V.

2017-10-01

In this paper, differential invariants are used to construct solutions for equations of the dynamics of a viscous heat-conducting gas and the dynamics of a viscous incompressible fluid modified by nanopowder inoculators. To describe the dynamics of a viscous heat-conducting gas, we use the complete system of Navier—Stokes equations with allowance for heat fluxes. Mathematical description of the dynamics of liquid metals under high-energy external influences (laser radiation or plasma flow) includes, in addition to the Navier—Stokes system of an incompressible viscous fluid, also heat fluxes and processes of nonequilibrium crystallization of a deformable fluid. Differentially invariant solutions are a generalization of partially invariant solutions, and their active study for various models of continuous medium mechanics is just beginning. Differentially invariant solutions can also be considered as solutions with differential constraints; therefore, when developing them, the approaches and methods developed by the science schools of academicians N. N. Yanenko and A. F. Sidorov will be actively used. In the construction of partially invariant and differentially invariant solutions, there are overdetermined systems of differential equations that require a compatibility analysis. The algorithms for reducing such systems to involution in a finite number of steps are described by Cartan, Finikov, Kuranishi, and other authors. However, the difficultly foreseeable volume of intermediate calculations complicates their practical application. Therefore, the methods of computer algebra are actively used here, which largely helps in solving this difficult problem. It is proposed to use the constructed exact solutions as tests for formulas, algorithms and their software implementations when developing and creating numerical methods and computational program complexes. This combination of effective numerical methods, capable of solving a wide class of problems, with analytical methods makes it possible to make the results of mathematical modeling more accurate and reliable.

GPU accelerated dynamic functional connectivity analysis for functional MRI data.

PubMed

Akgün, Devrim; Sakoğlu, Ünal; Esquivel, Johnny; Adinoff, Bryon; Mete, Mutlu

2015-07-01

Recent advances in multi-core processors and graphics card based computational technologies have paved the way for an improved and dynamic utilization of parallel computing techniques. Numerous applications have been implemented for the acceleration of computationally-intensive problems in various computational science fields including bioinformatics, in which big data problems are prevalent. In neuroimaging, dynamic functional connectivity (DFC) analysis is a computationally demanding method used to investigate dynamic functional interactions among different brain regions or networks identified with functional magnetic resonance imaging (fMRI) data. In this study, we implemented and analyzed a parallel DFC algorithm based on thread-based and block-based approaches. The thread-based approach was designed to parallelize DFC computations and was implemented in both Open Multi-Processing (OpenMP) and Compute Unified Device Architecture (CUDA) programming platforms. Another approach developed in this study to better utilize CUDA architecture is the block-based approach, where parallelization involves smaller parts of fMRI time-courses obtained by sliding-windows. Experimental results showed that the proposed parallel design solutions enabled by the GPUs significantly reduce the computation time for DFC analysis. Multicore implementation using OpenMP on 8-core processor provides up to 7.7× speed-up. GPU implementation using CUDA yielded substantial accelerations ranging from 18.5× to 157× speed-up once thread-based and block-based approaches were combined in the analysis. Proposed parallel programming solutions showed that multi-core processor and CUDA-supported GPU implementations accelerated the DFC analyses significantly. Developed algorithms make the DFC analyses more practical for multi-subject studies with more dynamic analyses. Copyright © 2015 Elsevier Ltd. All rights reserved.

Federated data storage system prototype for LHC experiments and data intensive science

NASA Astrophysics Data System (ADS)

Kiryanov, A.; Klimentov, A.; Krasnopevtsev, D.; Ryabinkin, E.; Zarochentsev, A.

2017-10-01

Rapid increase of data volume from the experiments running at the Large Hadron Collider (LHC) prompted physics computing community to evaluate new data handling and processing solutions. Russian grid sites and universities’ clusters scattered over a large area aim at the task of uniting their resources for future productive work, at the same time giving an opportunity to support large physics collaborations. In our project we address the fundamental problem of designing a computing architecture to integrate distributed storage resources for LHC experiments and other data-intensive science applications and to provide access to data from heterogeneous computing facilities. Studies include development and implementation of federated data storage prototype for Worldwide LHC Computing Grid (WLCG) centres of different levels and University clusters within one National Cloud. The prototype is based on computing resources located in Moscow, Dubna, Saint Petersburg, Gatchina and Geneva. This project intends to implement a federated distributed storage for all kind of operations such as read/write/transfer and access via WAN from Grid centres, university clusters, supercomputers, academic and commercial clouds. The efficiency and performance of the system are demonstrated using synthetic and experiment-specific tests including real data processing and analysis workflows from ATLAS and ALICE experiments, as well as compute-intensive bioinformatics applications (PALEOMIX) running on supercomputers. We present topology and architecture of the designed system, report performance and statistics for different access patterns and show how federated data storage can be used efficiently by physicists and biologists. We also describe how sharing data on a widely distributed storage system can lead to a new computing model and reformations of computing style, for instance how bioinformatics program running on supercomputers can read/write data from the federated storage.

Development of daily "swath" mascon solutions from GRACE

NASA Astrophysics Data System (ADS)

Save, Himanshu; Bettadpur, Srinivas

2016-04-01

The Gravity Recovery and Climate Experiment (GRACE) mission has provided invaluable and the only data of its kind over the past 14 years that measures the total water column in the Earth System. The GRACE project provides monthly average solutions and there are experimental quick-look solutions and regularized sliding window solutions available from Center for Space Research (CSR) that implement a sliding window approach and variable daily weights. The need for special handling of these solutions in data assimilation and the possibility of capturing the total water storage (TWS) signal at sub-monthly time scales motivated this study. This study discusses the progress of the development of true daily high resolution "swath" mascon total water storage estimate from GRACE using Tikhonov regularization. These solutions include the estimates of daily total water storage (TWS) for the mascon elements that were "observed" by the GRACE satellites on a given day. This paper discusses the computation techniques, signal, error and uncertainty characterization of these daily solutions. We discuss the comparisons with the official GRACE RL05 solutions and with CSR mascon solution to characterize the impact on science results especially at the sub-monthly time scales. The evaluation is done with emphasis on the temporal signal characteristics and validated against in-situ data set and multiple models.

Computer Science | Classification | College of Engineering & Applied

Science.gov Websites

EMS 1011 profile photo Adrian Dumitrescu, Ph.D.ProfessorComputer Science(414) 229-4265Eng & Math @uwm.eduEng & Math Sciences 919 profile photo Hossein Hosseini, Ph.D.ProfessorComputer Science(414) 229 -5184hosseini@uwm.eduEng & Math Sciences 1091 profile photo Amol Mali, Ph.D.Associate ProfessorComputer

Computers in Science Education: Can They Go Far Enough? Have We Gone Too Far?

ERIC Educational Resources Information Center

Schrock, John Richard

1984-01-01

Indicates that although computers may churn out creative research, science is still dependent on science education, and that science education consists of increasing human experience. Also considers uses and misuses of computers in the science classroom, examining Edgar Dale's "cone of experience" related to laboratory computer and "extended…

Semantic Web technologies for the big data in life sciences.

PubMed

Wu, Hongyan; Yamaguchi, Atsuko

2014-08-01

The life sciences field is entering an era of big data with the breakthroughs of science and technology. More and more big data-related projects and activities are being performed in the world. Life sciences data generated by new technologies are continuing to grow in not only size but also variety and complexity, with great speed. To ensure that big data has a major influence in the life sciences, comprehensive data analysis across multiple data sources and even across disciplines is indispensable. The increasing volume of data and the heterogeneous, complex varieties of data are two principal issues mainly discussed in life science informatics. The ever-evolving next-generation Web, characterized as the Semantic Web, is an extension of the current Web, aiming to provide information for not only humans but also computers to semantically process large-scale data. The paper presents a survey of big data in life sciences, big data related projects and Semantic Web technologies. The paper introduces the main Semantic Web technologies and their current situation, and provides a detailed analysis of how Semantic Web technologies address the heterogeneous variety of life sciences big data. The paper helps to understand the role of Semantic Web technologies in the big data era and how they provide a promising solution for the big data in life sciences.

Molecular-dynamics simulations of urea nucleation from aqueous solution

PubMed Central

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-01

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete. PMID:25492932

Molecular-dynamics simulations of urea nucleation from aqueous solution.

PubMed

Salvalaglio, Matteo; Perego, Claudio; Giberti, Federico; Mazzotti, Marco; Parrinello, Michele

2015-01-06

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tempered metadynamics, we compute the free-energy change associated to the phase transition. We find that such a free-energy profile is characterized by significant finite-size effects that can, however, be accounted for. The description of the nucleation process emerging from our analysis differs from classical nucleation theory. Nucleation of crystal-like clusters is in fact preceded by large concentration fluctuations, indicating a predominant two-step process, whereby embryonic crystal nuclei emerge from dense, disordered urea clusters. Furthermore, in the early stages of nucleation, two different polymorphs are seen to compete.

ECITE: A Testbed for Assessment of Technology Interoperability and Integration wiht Architecture Components

NASA Astrophysics Data System (ADS)

Graves, S. J.; Keiser, K.; Law, E.; Yang, C. P.; Djorgovski, S. G.

2016-12-01

ECITE (EarthCube Integration and Testing Environment) is providing both cloud-based computational testing resources and an Assessment Framework for Technology Interoperability and Integration. NSF's EarthCube program is funding the development of cyberinfrastructure building block components as technologies to address Earth science research problems. These EarthCube building blocks need to support integration and interoperability objectives to work towards a coherent cyberinfrastructure architecture for the program. ECITE is being developed to provide capabilities to test and assess the interoperability and integration across funded EarthCube technology projects. EarthCube defined criteria for interoperability and integration are applied to use cases coordinating science problems with technology solutions. The Assessment Framework facilitates planning, execution and documentation of the technology assessments for review by the EarthCube community. This presentation will describe the components of ECITE and examine the methodology of cross walking between science and technology use cases.

Avenues for crowd science in Hydrology.

NASA Astrophysics Data System (ADS)

Koch, Julian; Stisen, Simon

2016-04-01

Crowd science describes research that is conducted with the participation of the general public (the crowd) and gives the opportunity to involve the crowd in research design, data collection and analysis. In various fields, scientists have already drawn on underused human resources to advance research at low cost, with high transparency and large acceptance of the public due to the bottom up structure and the participatory process. Within the hydrological sciences, crowd research has quite recently become more established in the form of crowd observatories to generate hydrological data on water quality, precipitation or river flow. These innovative observatories complement more traditional ways of monitoring hydrological data and strengthen a community-based environmental decision making. However, the full potential of crowd science lies in internet based participation of the crowd and it is not yet fully exploited in the field of Hydrology. New avenues that are not primarily based on the outsourcing of labor, but instead capitalize the full potential of human capabilities have to emerge. In multiple realms of solving complex problems, like image detection, optimization tasks, narrowing of possible solutions, humans still remain more effective than computer algorithms. The most successful online crowd science projects Foldit and Galaxy Zoo have proven that the collective of tens of thousands users could clearly outperform traditional computer based science approaches. Our study takes advantage of the well trained human perception to conduct a spatial sensitivity analysis of land-surface variables of a distributed hydrological model to identify the most sensitive spatial inputs. True spatial performance metrics, that quantitatively compare patterns, are not trivial to choose and their applicability is often not universal. On the other hand humans can quickly integrate spatial information at various scales and are therefore a trusted competence. We selected zooniverse, the most popular crowd science platform where over a million registered users contribute to various research projects, to build a survey of the human perception. The survey will be shown during the interactive discussion, but moreover for building future avenues of crowd science in Hydrology the following questions should be discussed: (1) What hydrological problems are suitable for an internet based crowd science application? (2) How to abstract the complex problem to a medium that appeals to the crowd? (3) How to secure good science with reliable results? (4) Can the crowd replace existing and established computer based applications like parameter optimization or forecasting at all?

Laboratory Directed Research and Development FY2011 Annual Report

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

Craig, W; Sketchley, J; Kotta, P

2012-03-22

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundationalmore » science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High-Energy-Density Science; (11) Laser Inertial-Fusion Energy; (12) Advanced Laser Optical Systems and Applications; (12) Space Security; (13) Stockpile Stewardship Science; (14) National Security; (15) Alternative Energy; and (16) Climatic Change.« less

Optical soliton solutions of the cubic-quintic non-linear Schrödinger's equation including an anti-cubic term

NASA Astrophysics Data System (ADS)

Kaplan, Melike; Hosseini, Kamyar; Samadani, Farzan; Raza, Nauman

2018-07-01

A wide range of problems in different fields of the applied sciences especially non-linear optics is described by non-linear Schrödinger's equations (NLSEs). In the present paper, a specific type of NLSEs known as the cubic-quintic non-linear Schrödinger's equation including an anti-cubic term has been studied. The generalized Kudryashov method along with symbolic computation package has been exerted to carry out this objective. As a consequence, a series of optical soliton solutions have formally been retrieved. It is corroborated that the generalized form of Kudryashov method is a direct, effectual, and reliable technique to deal with various types of non-linear Schrödinger's equations.

Link Analysis of High Throughput Spacecraft Communication Systems for Future Science Missions

NASA Technical Reports Server (NTRS)

Simons, Rainee N.

2015-01-01

NASA's plan to launch several spacecrafts into low Earth Orbit (LEO) to support science missions in the next ten years and beyond requires down link throughput on the order of several terabits per day. The ability to handle such a large volume of data far exceeds the capabilities of current systems. This paper proposes two solutions, first, a high data rate link between the LEO spacecraft and ground via relay satellites in geostationary orbit (GEO). Second, a high data rate direct to ground link from LEO. Next, the paper presents results from computer simulations carried out for both types of links taking into consideration spacecraft transmitter frequency, EIRP, and waveform; elevation angle dependent path loss through Earths atmosphere, and ground station receiver GT.

Link Analysis of High Throughput Spacecraft Communication Systems for Future Science Missions

NASA Technical Reports Server (NTRS)

Simons, Rainee N.

2015-01-01

NASA's plan to launch several spacecraft into low Earth Orbit (LEO) to support science missions in the next ten years and beyond requires down link throughput on the order of several terabits per day. The ability to handle such a large volume of data far exceeds the capabilities of current systems. This paper proposes two solutions, first, a high data rate link between the LEO spacecraft and ground via relay satellites in geostationary orbit (GEO). Second, a high data rate direct to ground link from LEO. Next, the paper presents results from computer simulations carried out for both types of links taking into consideration spacecraft transmitter frequency, EIRP, and waveform; elevation angle dependent path loss through Earths atmosphere, and ground station receiver GT.

Evaluation of a Multicore-Optimized Implementation for Tomographic Reconstruction

PubMed Central

Agulleiro, Jose-Ignacio; Fernández, José Jesús

2012-01-01

Tomography allows elucidation of the three-dimensional structure of an object from a set of projection images. In life sciences, electron microscope tomography is providing invaluable information about the cell structure at a resolution of a few nanometres. Here, large images are required to combine wide fields of view with high resolution requirements. The computational complexity of the algorithms along with the large image size then turns tomographic reconstruction into a computationally demanding problem. Traditionally, high-performance computing techniques have been applied to cope with such demands on supercomputers, distributed systems and computer clusters. In the last few years, the trend has turned towards graphics processing units (GPUs). Here we present a detailed description and a thorough evaluation of an alternative approach that relies on exploitation of the power available in modern multicore computers. The combination of single-core code optimization, vector processing, multithreading and efficient disk I/O operations succeeds in providing fast tomographic reconstructions on standard computers. The approach turns out to be competitive with the fastest GPU-based solutions thus far. PMID:23139768

A detailed experimental study of a DNA computer with two endonucleases.

PubMed

Sakowski, Sebastian; Krasiński, Tadeusz; Sarnik, Joanna; Blasiak, Janusz; Waldmajer, Jacek; Poplawski, Tomasz

2017-07-14

Great advances in biotechnology have allowed the construction of a computer from DNA. One of the proposed solutions is a biomolecular finite automaton, a simple two-state DNA computer without memory, which was presented by Ehud Shapiro's group at the Weizmann Institute of Science. The main problem with this computer, in which biomolecules carry out logical operations, is its complexity - increasing the number of states of biomolecular automata. In this study, we constructed (in laboratory conditions) a six-state DNA computer that uses two endonucleases (e.g. AcuI and BbvI) and a ligase. We have presented a detailed experimental verification of its feasibility. We described the effect of the number of states, the length of input data, and the nondeterminism on the computing process. We also tested different automata (with three, four, and six states) running on various accepted input words of different lengths such as ab, aab, aaab, ababa, and of an unaccepted word ba. Moreover, this article presents the reaction optimization and the methods of eliminating certain biochemical problems occurring in the implementation of a biomolecular DNA automaton based on two endonucleases.

A FAST ITERATIVE METHOD FOR SOLVING THE EIKONAL EQUATION ON TETRAHEDRAL DOMAINS

PubMed Central

Fu, Zhisong; Kirby, Robert M.; Whitaker, Ross T.

2014-01-01

Generating numerical solutions to the eikonal equation and its many variations has a broad range of applications in both the natural and computational sciences. Efficient solvers on cutting-edge, parallel architectures require new algorithms that may not be theoretically optimal, but that are designed to allow asynchronous solution updates and have limited memory access patterns. This paper presents a parallel algorithm for solving the eikonal equation on fully unstructured tetrahedral meshes. The method is appropriate for the type of fine-grained parallelism found on modern massively-SIMD architectures such as graphics processors and takes into account the particular constraints and capabilities of these computing platforms. This work builds on previous work for solving these equations on triangle meshes; in this paper we adapt and extend previous two-dimensional strategies to accommodate three-dimensional, unstructured, tetrahedralized domains. These new developments include a local update strategy with data compaction for tetrahedral meshes that provides solutions on both serial and parallel architectures, with a generalization to inhomogeneous, anisotropic speed functions. We also propose two new update schemes, specialized to mitigate the natural data increase observed when moving to three dimensions, and the data structures necessary for efficiently mapping data to parallel SIMD processors in a way that maintains computational density. Finally, we present descriptions of the implementations for a single CPU, as well as multicore CPUs with shared memory and SIMD architectures, with comparative results against state-of-the-art eikonal solvers. PMID:25221418

General Quantum Meet-in-the-Middle Search Algorithm Based on Target Solution of Fixed Weight

NASA Astrophysics Data System (ADS)

Fu, Xiang-Qun; Bao, Wan-Su; Wang, Xiang; Shi, Jian-Hong

2016-10-01

Similar to the classical meet-in-the-middle algorithm, the storage and computation complexity are the key factors that decide the efficiency of the quantum meet-in-the-middle algorithm. Aiming at the target vector of fixed weight, based on the quantum meet-in-the-middle algorithm, the algorithm for searching all n-product vectors with the same weight is presented, whose complexity is better than the exhaustive search algorithm. And the algorithm can reduce the storage complexity of the quantum meet-in-the-middle search algorithm. Then based on the algorithm and the knapsack vector of the Chor-Rivest public-key crypto of fixed weight d, we present a general quantum meet-in-the-middle search algorithm based on the target solution of fixed weight, whose computational complexity is \\sumj = 0d {(O(\\sqrt {Cn - k + 1d - j }) + O(C_kj log C_k^j))} with Σd i =0 Ck i memory cost. And the optimal value of k is given. Compared to the quantum meet-in-the-middle search algorithm for knapsack problem and the quantum algorithm for searching a target solution of fixed weight, the computational complexity of the algorithm is lower. And its storage complexity is smaller than the quantum meet-in-the-middle-algorithm. Supported by the National Basic Research Program of China under Grant No. 2013CB338002 and the National Natural Science Foundation of China under Grant No. 61502526

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

NASA Technical Reports Server (NTRS)

1987-01-01

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

78 FR 10180 - Annual Computational Science Symposium; Conference

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-13

...] Annual Computational Science Symposium; Conference AGENCY: Food and Drug Administration, HHS. ACTION... Computational Science Symposium.'' The purpose of the conference is to help the broader community align and share experiences to advance computational science. At the conference, which will bring together FDA...

GeoBrain Computational Cyber-laboratory for Earth Science Studies

NASA Astrophysics Data System (ADS)

Deng, M.; di, L.

2009-12-01

Computational approaches (e.g., computer-based data visualization, analysis and modeling) are critical for conducting increasingly data-intensive Earth science (ES) studies to understand functions and changes of the Earth system. However, currently Earth scientists, educators, and students have met two major barriers that prevent them from being effectively using computational approaches in their learning, research and application activities. The two barriers are: 1) difficulties in finding, obtaining, and using multi-source ES data; and 2) lack of analytic functions and computing resources (e.g., analysis software, computing models, and high performance computing systems) to analyze the data. Taking advantages of recent advances in cyberinfrastructure, Web service, and geospatial interoperability technologies, GeoBrain, a project funded by NASA, has developed a prototype computational cyber-laboratory to effectively remove the two barriers. The cyber-laboratory makes ES data and computational resources at large organizations in distributed locations available to and easily usable by the Earth science community through 1) enabling seamless discovery, access and retrieval of distributed data, 2) federating and enhancing data discovery with a catalogue federation service and a semantically-augmented catalogue service, 3) customizing data access and retrieval at user request with interoperable, personalized, and on-demand data access and services, 4) automating or semi-automating multi-source geospatial data integration, 5) developing a large number of analytic functions as value-added, interoperable, and dynamically chainable geospatial Web services and deploying them in high-performance computing facilities, 6) enabling the online geospatial process modeling and execution, and 7) building a user-friendly extensible web portal for users to access the cyber-laboratory resources. Users can interactively discover the needed data and perform on-demand data analysis and modeling through the web portal. The GeoBrain cyber-laboratory provides solutions to meet common needs of ES research and education, such as, distributed data access and analysis services, easy access to and use of ES data, and enhanced geoprocessing and geospatial modeling capability. It greatly facilitates ES research, education, and applications. The development of the cyber-laboratory provides insights, lessons-learned, and technology readiness to build more capable computing infrastructure for ES studies, which can meet wide-range needs of current and future generations of scientists, researchers, educators, and students for their formal or informal educational training, research projects, career development, and lifelong learning.

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

Hules, John

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

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

Dahlburg, Jill; Corones, James; Batchelor, Donald

Fusion is potentially an inexhaustible energy source whose exploitation requires a basic understanding of high-temperature plasmas. The development of a science-based predictive capability for fusion-relevant plasmas is a challenge central to fusion energy science, in which numerical modeling has played a vital role for more than four decades. A combination of the very wide range in temporal and spatial scales, extreme anisotropy, the importance of geometric detail, and the requirement of causality which makes it impossible to parallelize over time, makes this problem one of the most challenging in computational physics. Sophisticated computational models are under development for many individualmore » features of magnetically confined plasmas and increases in the scope and reliability of feasible simulations have been enabled by increased scientific understanding and improvements in computer technology. However, full predictive modeling of fusion plasmas will require qualitative improvements and innovations to enable cross coupling of a wider variety of physical processes and to allow solution over a larger range of space and time scales. The exponential growth of computer speed, coupled with the high cost of large-scale experimental facilities, makes an integrated fusion simulation initiative a timely and cost-effective opportunity. Worldwide progress in laboratory fusion experiments provides the basis for a recent FESAC recommendation to proceed with a burning plasma experiment (see FESAC Review of Burning Plasma Physics Report, September 2001). Such an experiment, at the frontier of the physics of complex systems, would be a huge step in establishing the potential of magnetic fusion energy to contribute to the world’s energy security. An integrated simulation capability would dramatically enhance the utilization of such a facility and lead to optimization of toroidal fusion plasmas in general. This science-based predictive capability, which was cited in the FESAC integrated planning document (IPPA, 2000), represents a significant opportunity for the DOE Office of Science to further the understanding of fusion plasmas to a level unparalleled worldwide.« less

Architectural Strategies for Enabling Data-Driven Science at Scale

NASA Astrophysics Data System (ADS)

Crichton, D. J.; Law, E. S.; Doyle, R. J.; Little, M. M.

2017-12-01

The analysis of large data collections from NASA or other agencies is often executed through traditional computational and data analysis approaches, which require users to bring data to their desktops and perform local data analysis. Alternatively, data are hauled to large computational environments that provide centralized data analysis via traditional High Performance Computing (HPC). Scientific data archives, however, are not only growing massive, but are also becoming highly distributed. Neither traditional approach provides a good solution for optimizing analysis into the future. Assumptions across the NASA mission and science data lifecycle, which historically assume that all data can be collected, transmitted, processed, and archived, will not scale as more capable instruments stress legacy-based systems. New paradigms are needed to increase the productivity and effectiveness of scientific data analysis. This paradigm must recognize that architectural and analytical choices are interrelated, and must be carefully coordinated in any system that aims to allow efficient, interactive scientific exploration and discovery to exploit massive data collections, from point of collection (e.g., onboard) to analysis and decision support. The most effective approach to analyzing a distributed set of massive data may involve some exploration and iteration, putting a premium on the flexibility afforded by the architectural framework. The framework should enable scientist users to assemble workflows efficiently, manage the uncertainties related to data analysis and inference, and optimize deep-dive analytics to enhance scalability. In many cases, this "data ecosystem" needs to be able to integrate multiple observing assets, ground environments, archives, and analytics, evolving from stewardship of measurements of data to using computational methodologies to better derive insight from the data that may be fused with other sets of data. This presentation will discuss architectural strategies, including a 2015-2016 NASA AIST Study on Big Data, for evolving scientific research towards massively distributed data-driven discovery. It will include example use cases across earth science, planetary science, and other disciplines.

PoPLAR: Portal for Petascale Lifescience Applications and Research

PubMed Central

2013-01-01

Background We are focusing specifically on fast data analysis and retrieval in bioinformatics that will have a direct impact on the quality of human health and the environment. The exponential growth of data generated in biology research, from small atoms to big ecosystems, necessitates an increasingly large computational component to perform analyses. Novel DNA sequencing technologies and complementary high-throughput approaches--such as proteomics, genomics, metabolomics, and meta-genomics--drive data-intensive bioinformatics. While individual research centers or universities could once provide for these applications, this is no longer the case. Today, only specialized national centers can deliver the level of computing resources required to meet the challenges posed by rapid data growth and the resulting computational demand. Consequently, we are developing massively parallel applications to analyze the growing flood of biological data and contribute to the rapid discovery of novel knowledge. Methods The efforts of previous National Science Foundation (NSF) projects provided for the generation of parallel modules for widely used bioinformatics applications on the Kraken supercomputer. We have profiled and optimized the code of some of the scientific community's most widely used desktop and small-cluster-based applications, including BLAST from the National Center for Biotechnology Information (NCBI), HMMER, and MUSCLE; scaled them to tens of thousands of cores on high-performance computing (HPC) architectures; made them robust and portable to next-generation architectures; and incorporated these parallel applications in science gateways with a web-based portal. Results This paper will discuss the various developmental stages, challenges, and solutions involved in taking bioinformatics applications from the desktop to petascale with a front-end portal for very-large-scale data analysis in the life sciences. Conclusions This research will help to bridge the gap between the rate of data generation and the speed at which scientists can study this data. The ability to rapidly analyze data at such a large scale is having a significant, direct impact on science achieved by collaborators who are currently using these tools on supercomputers. PMID:23902523

Modular Approaches to Earth Science Scientific Computing: 3D Electromagnetic Induction Modeling as an Example

NASA Astrophysics Data System (ADS)

Tandon, K.; Egbert, G.; Siripunvaraporn, W.

2003-12-01

We are developing a modular system for three-dimensional inversion of electromagnetic (EM) induction data, using an object oriented programming approach. This approach allows us to modify the individual components of the inversion scheme proposed, and also reuse the components for variety of problems in earth science computing howsoever diverse they might be. In particular, the modularity allows us to (a) change modeling codes independently of inversion algorithm details; (b) experiment with new inversion algorithms; and (c) modify the way prior information is imposed in the inversion to test competing hypothesis and techniques required to solve an earth science problem. Our initial code development is for EM induction equations on a staggered grid, using iterative solution techniques in 3D. An example illustrated here is an experiment with the sensitivity of 3D magnetotelluric inversion to uncertainties in the boundary conditions required for regional induction problems. These boundary conditions should reflect the large-scale geoelectric structure of the study area, which is usually poorly constrained. In general for inversion of MT data, one fixes boundary conditions at the edge of the model domain, and adjusts the earth?s conductivity structure within the modeling domain. Allowing for errors in specification of the open boundary values is simple in principle, but no existing inversion codes that we are aware of have this feature. Adding a feature such as this is straightforward within the context of the modular approach. More generally, a modular approach provides an efficient methodology for setting up earth science computing problems to test various ideas. As a concrete illustration relevant to EM induction problems, we investigate the sensitivity of MT data near San Andreas Fault at Parkfield (California) to uncertainties in the regional geoelectric structure.

Enduring Influence of Stereotypical Computer Science Role Models on Women's Academic Aspirations

ERIC Educational Resources Information Center

Cheryan, Sapna; Drury, Benjamin J.; Vichayapai, Marissa

2013-01-01

The current work examines whether a brief exposure to a computer science role model who fits stereotypes of computer scientists has a lasting influence on women's interest in the field. One-hundred undergraduate women who were not computer science majors met a female or male peer role model who embodied computer science stereotypes in appearance…

A Web of Resources for Introductory Computer Science.

ERIC Educational Resources Information Center

Rebelsky, Samuel A.

As the field of Computer Science has grown, the syllabus of the introductory Computer Science course has changed significantly. No longer is it a simple introduction to programming or a tutorial on computer concepts and applications. Rather, it has become a survey of the field of Computer Science, touching on a wide variety of topics from digital…

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

NASA Technical Reports Server (NTRS)

1988-01-01

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

Summary of research in applied mathematics, numerical analysis and computer science at the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1984-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science during the period October 1, 1983 through March 31, 1984 is summarized.

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

NASA Technical Reports Server (NTRS)

1987-01-01

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

High school computer science education paves the way for higher education: the Israeli case

NASA Astrophysics Data System (ADS)

Armoni, Michal; Gal-Ezer, Judith

2014-07-01

The gap between enrollments in higher education computing programs and the high-tech industry's demands is widely reported, and is especially prominent for women. Increasing the availability of computer science education in high school is one of the strategies suggested in order to address this gap. We look at the connection between exposure to computer science in high school and pursuing computing in higher education. We also examine the gender gap, in the context of high school computer science education. We show that in Israel, students who took the high-level computer science matriculation exam were more likely to pursue computing in higher education. Regarding the issue of gender, we will show that, in general, in Israel the difference between males and females who take computer science in high school is relatively small, and a larger, though still not very large difference exists only for the highest exam level. In addition, exposing females to high-level computer science in high school has more relative impact on pursuing higher education in computing.

Defining Computational Thinking for Mathematics and Science Classrooms

NASA Astrophysics Data System (ADS)

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

2016-02-01

Science and mathematics are becoming computational endeavors. This fact is reflected in the recently released Next Generation Science Standards and the decision to include "computational thinking" as a core scientific practice. With this addition, and the increased presence of computation in mathematics and scientific contexts, a new urgency has come to the challenge of defining computational thinking and providing a theoretical grounding for what form it should take in school science and mathematics classrooms. This paper presents a response to this challenge by proposing a definition of computational thinking for mathematics and science in the form of a taxonomy consisting of four main categories: data practices, modeling and simulation practices, computational problem solving practices, and systems thinking practices. In formulating this taxonomy, we draw on the existing computational thinking literature, interviews with mathematicians and scientists, and exemplary computational thinking instructional materials. This work was undertaken as part of a larger effort to infuse computational thinking into high school science and mathematics curricular materials. In this paper, we argue for the approach of embedding computational thinking in mathematics and science contexts, present the taxonomy, and discuss how we envision the taxonomy being used to bring current educational efforts in line with the increasingly computational nature of modern science and mathematics.

Dynamical Approach Study of Spurious Numerics in Nonlinear Computations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Mansour, Nagi (Technical Monitor)

2002-01-01

The last two decades have been an era when computation is ahead of analysis and when very large scale practical computations are increasingly used in poorly understood multiscale complex nonlinear physical problems and non-traditional fields. Ensuring a higher level of confidence in the predictability and reliability (PAR) of these numerical simulations could play a major role in furthering the design, understanding, affordability and safety of our next generation air and space transportation systems, and systems for planetary and atmospheric sciences, and in understanding the evolution and origin of life. The need to guarantee PAR becomes acute when computations offer the ONLY way of solving these types of data limited problems. Employing theory from nonlinear dynamical systems, some building blocks to ensure a higher level of confidence in PAR of numerical simulations have been revealed by the author and world expert collaborators in relevant fields. Five building blocks with supporting numerical examples were discussed. The next step is to utilize knowledge gained by including nonlinear dynamics, bifurcation and chaos theories as an integral part of the numerical process. The third step is to design integrated criteria for reliable and accurate algorithms that cater to the different multiscale nonlinear physics. This includes but is not limited to the construction of appropriate adaptive spatial and temporal discretizations that are suitable for the underlying governing equations. In addition, a multiresolution wavelets approach for adaptive numerical dissipation/filter controls for high speed turbulence, acoustics and combustion simulations will be sought. These steps are corner stones for guarding against spurious numerical solutions that are solutions of the discretized counterparts but are not solutions of the underlying governing equations.

Strengthening LLNL Missions through Laboratory Directed Research and Development in High Performance Computing

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

Willis, D. K.

2016-12-01

High performance computing (HPC) has been a defining strength of Lawrence Livermore National Laboratory (LLNL) since its founding. Livermore scientists have designed and used some of the world’s most powerful computers to drive breakthroughs in nearly every mission area. Today, the Laboratory is recognized as a world leader in the application of HPC to complex science, technology, and engineering challenges. Most importantly, HPC has been integral to the National Nuclear Security Administration’s (NNSA’s) Stockpile Stewardship Program—designed to ensure the safety, security, and reliability of our nuclear deterrent without nuclear testing. A critical factor behind Lawrence Livermore’s preeminence in HPC ismore » the ongoing investments made by the Laboratory Directed Research and Development (LDRD) Program in cutting-edge concepts to enable efficient utilization of these powerful machines. Congress established the LDRD Program in 1991 to maintain the technical vitality of the Department of Energy (DOE) national laboratories. Since then, LDRD has been, and continues to be, an essential tool for exploring anticipated needs that lie beyond the planning horizon of our programs and for attracting the next generation of talented visionaries. Through LDRD, Livermore researchers can examine future challenges, propose and explore innovative solutions, and deliver creative approaches to support our missions. The present scientific and technical strengths of the Laboratory are, in large part, a product of past LDRD investments in HPC. Here, we provide seven examples of LDRD projects from the past decade that have played a critical role in building LLNL’s HPC, computer science, mathematics, and data science research capabilities, and describe how they have impacted LLNL’s mission.« less

Nicholas Brunhart-Lupo | NREL

Science.gov Websites

. Education Ph.D., Computer Science, Colorado School of Mines M.S., Computer Science, University of Queensland B.S., Computer Science, Colorado School of Mines Brunhart-Lupo Nicholas Brunhart-Lupo Computational Science Nicholas.Brunhart-Lupo@nrel.gov

The Need for Computer Science

ERIC Educational Resources Information Center

Margolis, Jane; Goode, Joanna; Bernier, David

2011-01-01

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

Summary of research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

NASA Technical Reports Server (NTRS)

1989-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 1, 1988 through March 31, 1989 is summarized.

Mobile Computing for Aerospace Applications

NASA Technical Reports Server (NTRS)

Alena, Richard; Swietek, Gregory E. (Technical Monitor)

1994-01-01

The use of commercial computer technology in specific aerospace mission applications can reduce the cost and project cycle time required for the development of special-purpose computer systems. Additionally, the pace of technological innovation in the commercial market has made new computer capabilities available for demonstrations and flight tests. Three areas of research and development being explored by the Portable Computer Technology Project at NASA Ames Research Center are the application of commercial client/server network computing solutions to crew support and payload operations, the analysis of requirements for portable computing devices, and testing of wireless data communication links as extensions to the wired network. This paper will present computer architectural solutions to portable workstation design including the use of standard interfaces, advanced flat-panel displays and network configurations incorporating both wired and wireless transmission media. It will describe the design tradeoffs used in selecting high-performance processors and memories, interfaces for communication and peripheral control, and high resolution displays. The packaging issues for safe and reliable operation aboard spacecraft and aircraft are presented. The current status of wireless data links for portable computers is discussed from a system design perspective. An end-to-end data flow model for payload science operations from the experiment flight rack to the principal investigator is analyzed using capabilities provided by the new generation of computer products. A future flight experiment on-board the Russian MIR space station will be described in detail including system configuration and function, the characteristics of the spacecraft operating environment, the flight qualification measures needed for safety review, and the specifications of the computing devices to be used in the experiment. The software architecture chosen shall be presented. An analysis of the performance characteristics of wireless data links in the spacecraft environment will be discussed. Network performance and operation will be modeled and preliminary test results presented. A crew support application will be demonstrated in conjunction with the network metrics experiment.

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

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

Collins, W. E.

2004-08-16

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

Curricular Influences on Female Afterschool Facilitators' Computer Science Interests and Career Choices

NASA Astrophysics Data System (ADS)

Koch, Melissa; Gorges, Torie

2016-10-01

Underrepresented populations such as women, African-Americans, and Latinos/as often come to STEM (science, technology, engineering, and mathematics) careers by less traditional paths than White and Asian males. To better understand how and why women might shift toward STEM, particularly computer science, careers, we investigated the education and career direction of afterschool facilitators, primarily women of color in their twenties and thirties, who taught Build IT, an afterschool computer science curriculum for middle school girls. Many of these women indicated that implementing Build IT had influenced their own interest in technology and computer science and in some cases had resulted in their intent to pursue technology and computer science education. We wanted to explore the role that teaching Build IT may have played in activating or reactivating interest in careers in computer science and to see whether in the years following implementation of Build IT, these women pursued STEM education and/or careers. We reached nine facilitators who implemented the program in 2011-12 or shortly after. Many indicated that while facilitating Build IT, they learned along with the participants, increasing their interest in and confidence with technology and computer science. Seven of the nine participants pursued further STEM or computer science learning or modified their career paths to include more of a STEM or computer science focus. Through interviews, we explored what aspects of Build IT influenced these facilitators' interest and confidence in STEM and when relevant their pursuit of technology and computer science education and careers.

The NASA computer science research program plan

NASA Technical Reports Server (NTRS)

1983-01-01

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

Stratified flows with variable density: mathematical modelling and numerical challenges.

NASA Astrophysics Data System (ADS)

Murillo, Javier; Navas-Montilla, Adrian

2017-04-01

Stratified flows appear in a wide variety of fundamental problems in hydrological and geophysical sciences. They may involve from hyperconcentrated floods carrying sediment causing collapse, landslides and debris flows, to suspended material in turbidity currents where turbulence is a key process. Also, in stratified flows variable horizontal density is present. Depending on the case, density varies according to the volumetric concentration of different components or species that can represent transported or suspended materials or soluble substances. Multilayer approaches based on the shallow water equations provide suitable models but are not free from difficulties when moving to the numerical resolution of the governing equations. Considering the variety of temporal and spatial scales, transfer of mass and energy among layers may strongly differ from one case to another. As a consequence, in order to provide accurate solutions, very high order methods of proved quality are demanded. Under these complex scenarios it is necessary to observe that the numerical solution provides the expected order of accuracy but also converges to the physically based solution, which is not an easy task. To this purpose, this work will focus in the use of Energy balanced augmented solvers, in particular, the Augmented Roe Flux ADER scheme. References: J. Murillo , P. García-Navarro, Wave Riemann description of friction terms in unsteady shallow flows: Application to water and mud/debris floods. J. Comput. Phys. 231 (2012) 1963-2001. J. Murillo B. Latorre, P. García-Navarro. A Riemann solver for unsteady computation of 2D shallow flows with variable density. J. Comput. Phys.231 (2012) 4775-4807. A. Navas-Montilla, J. Murillo, Energy balanced numerical schemes with very high order. The Augmented Roe Flux ADER scheme. Application to the shallow water equations, J. Comput. Phys. 290 (2015) 188-218. A. Navas-Montilla, J. Murillo, Asymptotically and exactly energy balanced augmented flux-ADER schemes with application to hyperbolic conservation laws with geometric source terms, J. Comput. Phys. 317 (2016) 108-147. J. Murillo and A. Navas-Montilla, A comprehensive explanation and exercise of the source terms in hyperbolic systems using Roe type solutions. Application to the 1D-2D shallow water equations, Advances in Water Resources 98 (2016) 70-96.

On teaching computer ethics within a computer science department.

PubMed

Quinn, Michael J

2006-04-01

The author has surveyed a quarter of the accredited undergraduate computer science programs in the United States. More than half of these programs offer a 'social and ethical implications of computing' course taught by a computer science faculty member, and there appears to be a trend toward teaching ethics classes within computer science departments. Although the decision to create an 'in house' computer ethics course may sometimes be a pragmatic response to pressure from the accreditation agency, this paper argues that teaching ethics within a computer science department can provide students and faculty members with numerous benefits. The paper lists topics that can be covered in a computer ethics course and offers some practical suggestions for making the course successful.

Effect of Numerical Error on Gravity Field Estimation for GRACE and Future Gravity Missions

NASA Astrophysics Data System (ADS)

McCullough, Christopher; Bettadpur, Srinivas

2015-04-01

In recent decades, gravity field determination from low Earth orbiting satellites, such as the Gravity Recovery and Climate Experiment (GRACE), has become increasingly more effective due to the incorporation of high accuracy measurement devices. Since instrumentation quality will only increase in the near future and the gravity field determination process is computationally and numerically intensive, numerical error from the use of double precision arithmetic will eventually become a prominent error source. While using double-extended or quadruple precision arithmetic will reduce these errors, the numerical limitations of current orbit determination algorithms and processes must be accurately identified and quantified in order to adequately inform the science data processing techniques of future gravity missions. The most obvious numerical limitation in the orbit determination process is evident in the comparison of measured observables with computed values, derived from mathematical models relating the satellites' numerically integrated state to the observable. Significant error in the computed trajectory will corrupt this comparison and induce error in the least squares solution of the gravitational field. In addition, errors in the numerically computed trajectory propagate into the evaluation of the mathematical measurement model's partial derivatives. These errors amalgamate in turn with numerical error from the computation of the state transition matrix, computed using the variational equations of motion, in the least squares mapping matrix. Finally, the solution of the linearized least squares system, computed using a QR factorization, is also susceptible to numerical error. Certain interesting combinations of each of these numerical errors are examined in the framework of GRACE gravity field determination to analyze and quantify their effects on gravity field recovery.

Computational Science News | Computational Science | NREL

Science.gov Websites

-Cooled High-Performance Computing Technology at the ESIF February 28, 2018 NREL Launches New Website for High-Performance Computing System Users The National Renewable Energy Laboratory (NREL) Computational Science Center has launched a revamped website for users of the lab's high-performance computing (HPC

Stability Analysis of Finite Difference Approximations to Hyperbolic Systems, and Problems in Applied and Computational Matrix Theory

DTIC Science & Technology

1988-07-08

Marcus and C. Baczynski), Computer Science Press, Rockville, Maryland, 1986. 3. An Introduction to Pascal and Precalculus , Computer Science Press...Science Press, Rockville, Maryland, 1986. 35. An Introduction to Pascal and Precalculus , Computer Science Press, Rockville, Maryland, 1986. 36

Empirical Determination of Competence Areas to Computer Science Education

ERIC Educational Resources Information Center

Zendler, Andreas; Klaudt, Dieter; Seitz, Cornelia

2014-01-01

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

Factors Influencing Exemplary Science Teachers' Levels of Computer Use

ERIC Educational Resources Information Center

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

2011-01-01

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

Preparing Future Secondary Computer Science Educators

ERIC Educational Resources Information Center

Ajwa, Iyad

2007-01-01

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

OPENING REMARKS: SciDAC: Scientific Discovery through Advanced Computing

NASA Astrophysics Data System (ADS)

Strayer, Michael

2005-01-01

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

The next generation of neural network chips

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

Beiu, V.

There have been many national and international neural networks research initiatives: USA (DARPA, NIBS), Canada (IRIS), Japan (HFSP) and Europe (BRAIN, GALA TEA, NERVES, ELENE NERVES 2) -- just to mention a few. Recent developments in the field of neural networks, cognitive science, bioengineering and electrical engineering have made it possible to understand more about the functioning of large ensembles of identical processing elements. There are more research papers than ever proposing solutions and hardware implementations are by no means an exception. Two fields (computing and neuroscience) are interacting in ways nobody could imagine just several years ago, and --more » with the advent of new technologies -- researchers are focusing on trying to copy the Brain. Such an exciting confluence may quite shortly lead to revolutionary new computers and it is the aim of this invited session to bring to light some of the challenging research aspects dealing with the hardware realizability of future intelligent chips. Present-day (conventional) technology is (still) mostly digital and, thus, occupies wider areas and consumes much more power than the solutions envisaged. The innovative algorithmic and architectural ideals should represent important breakthroughs, paving the way towards making neural network chips available to the industry at competitive prices, in relatively small packages and consuming a fraction of the power required by equivalent digital solutions.« less

Managing, Analysing, and Integrating Big Data in Medical Bioinformatics: Open Problems and Future Perspectives

PubMed Central

Merelli, Ivan; Pérez-Sánchez, Horacio; Gesing, Sandra; D'Agostino, Daniele

2014-01-01

The explosion of the data both in the biomedical research and in the healthcare systems demands urgent solutions. In particular, the research in omics sciences is moving from a hypothesis-driven to a data-driven approach. Healthcare is additionally always asking for a tighter integration with biomedical data in order to promote personalized medicine and to provide better treatments. Efficient analysis and interpretation of Big Data opens new avenues to explore molecular biology, new questions to ask about physiological and pathological states, and new ways to answer these open issues. Such analyses lead to better understanding of diseases and development of better and personalized diagnostics and therapeutics. However, such progresses are directly related to the availability of new solutions to deal with this huge amount of information. New paradigms are needed to store and access data, for its annotation and integration and finally for inferring knowledge and making it available to researchers. Bioinformatics can be viewed as the “glue” for all these processes. A clear awareness of present high performance computing (HPC) solutions in bioinformatics, Big Data analysis paradigms for computational biology, and the issues that are still open in the biomedical and healthcare fields represent the starting point to win this challenge. PMID:25254202

Exploring Asynchronous Many-Task Runtime Systems toward Extreme Scales

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

Knight, Samuel; Baker, Gavin Matthew; Gamell, Marc

2015-10-01

Major exascale computing reports indicate a number of software challenges to meet the dramatic change of system architectures in near future. While several-orders-of-magnitude increase in parallelism is the most commonly cited of those, hurdles also include performance heterogeneity of compute nodes across the system, increased imbalance between computational capacity and I/O capabilities, frequent system interrupts, and complex hardware architectures. Asynchronous task-parallel programming models show a great promise in addressing these issues, but are not yet fully understood nor developed su ciently for computational science and engineering application codes. We address these knowledge gaps through quantitative and qualitative exploration of leadingmore » candidate solutions in the context of engineering applications at Sandia. In this poster, we evaluate MiniAero code ported to three leading candidate programming models (Charm++, Legion and UINTAH) to examine the feasibility of these models that permits insertion of new programming model elements into an existing code base.« less

ASC FY17 Implementation Plan, Rev. 1

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

Hamilton, P. G.

The Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, surety, and reliability of the U.S. nuclear stockpile. The SSP uses nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of experimental facilities and programs, and the computational capabilities to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computationalmore » resources that support annual stockpile assessment and certification, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions.« less

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

East, D. R.; Sexton, J.

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and IBM TJ Watson Research Center to research, assess feasibility and develop an implementation plan for a High Performance Computing Innovation Center (HPCIC) in the Livermore Valley Open Campus (LVOC). The ultimate goal of this work was to help advance the State of California and U.S. commercial competitiveness in the arena of High Performance Computing (HPC) by accelerating the adoption of computational science solutions, consistent with recent DOE strategy directives. The desired result of this CRADA was a well-researched,more » carefully analyzed market evaluation that would identify those firms in core sectors of the US economy seeking to adopt or expand their use of HPC to become more competitive globally, and to define how those firms could be helped by the HPCIC with IBM as an integral partner.« less

Computational Fluid Dynamics at NASA Ames Research Center

NASA Technical Reports Server (NTRS)

Kutler, Paul

1994-01-01

Computational fluid dynamics (CFD) is beginning to play a major role in the aircraft industry of the United States because of the realization that CFD can be a new and effective design tool and thus could provide a company with a competitive advantage. It is also playing a significant role in research institutions, both governmental and academic, as a tool for researching new fluid physics, as well as supplementing and complementing experimental testing. In this presentation, some of the progress made to date in CFD at NASA Ames will be reviewed. The presentation addresses the status of CFD in terms of methods, examples of CFD solutions, and computer technology. In addition, the role CFD will play in supporting the revolutionary goals set forth by the Aeronautical Policy Review Committee established by the Office of Science and Technology Policy is noted. The need for validated CFD tools is also briefly discussed.

Mechanical Computing Redux: Limitations at the Nanoscale

NASA Astrophysics Data System (ADS)

Liu, Tsu-Jae King

2014-03-01

Technology solutions for overcoming the energy efficiency limits of nanoscale complementary metal oxide semiconductor (CMOS) technology ultimately will be needed in order to address the growing issue of integrated-circuit chip power density. Off-state leakage current sets a fundamental lower limit in energy per operation for any voltage-level-based digital logic implemented with transistors (CMOS and beyond), which leads to practical limits for device density (i.e. cost) and operating frequency (i.e. system performance). Mechanical switches have zero off-state leakag and hence can overcome this fundamental limit. Contact adhesive force sets a lower limit for the switching energy of a mechanical switch, however, and also directly impacts its performance. This paper will review recent progress toward the development of nano-electro-mechanical relay technology and discuss remaining challenges for realizing the promise of mechanical computing for ultra-low-power computing. Supported by the Center for Energy Efficient Electronics Science (NSF Award 0939514).

Enabling Wide-Scale Computer Science Education through Improved Automated Assessment Tools

NASA Astrophysics Data System (ADS)

Boe, Bryce A.

There is a proliferating demand for newly trained computer scientists as the number of computer science related jobs continues to increase. University programs will only be able to train enough new computer scientists to meet this demand when two things happen: when there are more primary and secondary school students interested in computer science, and when university departments have the resources to handle the resulting increase in enrollment. To meet these goals, significant effort is being made to both incorporate computational thinking into existing primary school education, and to support larger university computer science class sizes. We contribute to this effort through the creation and use of improved automated assessment tools. To enable wide-scale computer science education we do two things. First, we create a framework called Hairball to support the static analysis of Scratch programs targeted for fourth, fifth, and sixth grade students. Scratch is a popular building-block language utilized to pique interest in and teach the basics of computer science. We observe that Hairball allows for rapid curriculum alterations and thus contributes to wide-scale deployment of computer science curriculum. Second, we create a real-time feedback and assessment system utilized in university computer science classes to provide better feedback to students while reducing assessment time. Insights from our analysis of student submission data show that modifications to the system configuration support the way students learn and progress through course material, making it possible for instructors to tailor assignments to optimize learning in growing computer science classes.

High Performance Computing Facility Operational Assessment, FY 2011 Oak Ridge Leadership Computing Facility

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

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

Oak Ridge National Laboratory's Leadership Computing Facility (OLCF) continues to deliver the most powerful resources in the U.S. for open science. At 2.33 petaflops peak performance, the Cray XT Jaguar delivered more than 1.5 billion core hours in calendar year (CY) 2010 to researchers around the world for computational simulations relevant to national and energy security; advancing the frontiers of knowledge in physical sciences and areas of biological, medical, environmental, and computer sciences; and providing world-class research facilities for the nation's science enterprise. Scientific achievements by OLCF users range from collaboration with university experimentalists to produce a working supercapacitor thatmore » uses atom-thick sheets of carbon materials to finely determining the resolution requirements for simulations of coal gasifiers and their components, thus laying the foundation for development of commercial-scale gasifiers. OLCF users are pushing the boundaries with software applications sustaining more than one petaflop of performance in the quest to illuminate the fundamental nature of electronic devices. Other teams of researchers are working to resolve predictive capabilities of climate models, to refine and validate genome sequencing, and to explore the most fundamental materials in nature - quarks and gluons - and their unique properties. Details of these scientific endeavors - not possible without access to leadership-class computing resources - are detailed in Section 4 of this report and in the INCITE in Review. Effective operations of the OLCF play a key role in the scientific missions and accomplishments of its users. This Operational Assessment Report (OAR) will delineate the policies, procedures, and innovations implemented by the OLCF to continue delivering a petaflop-scale resource for cutting-edge research. The 2010 operational assessment of the OLCF yielded recommendations that have been addressed (Reference Section 1) and where appropriate, changes in Center metrics were introduced. This report covers CY 2010 and CY 2011 Year to Date (YTD) that unless otherwise specified, denotes January 1, 2011 through June 30, 2011. User Support remains an important element of the OLCF operations, with the philosophy 'whatever it takes' to enable successful research. Impact of this center-wide activity is reflected by the user survey results that show users are 'very satisfied.' The OLCF continues to aggressively pursue outreach and training activities to promote awareness - and effective use - of U.S. leadership-class resources (Reference Section 2). The OLCF continues to meet and in many cases exceed DOE metrics for capability usage (35% target in CY 2010, delivered 39%; 40% target in CY 2011, 54% January 1, 2011 through June 30, 2011). The Schedule Availability (SA) and Overall Availability (OA) for Jaguar were exceeded in CY2010. Given the solution to the VRM problem the SA and OA for Jaguar in CY 2011 are expected to exceed the target metrics of 95% and 90%, respectively (Reference Section 3). Numerous and wide-ranging research accomplishments, scientific support, and technological innovations are more fully described in Sections 4 and 6 and reflect OLCF leadership in enabling high-impact science solutions and vision in creating an exascale-ready center. Financial Management (Section 5) and Risk Management (Section 7) are carried out using best practices approved of by DOE. The OLCF has a valid cyber security plan and Authority to Operate (Section 8). The proposed metrics for 2012 are reflected in Section 9.« less

Programmers, professors, and parasites: credit and co-authorship in computer science.

PubMed

Solomon, Justin

2009-12-01

This article presents an in-depth analysis of past and present publishing practices in academic computer science to suggest the establishment of a more consistent publishing standard. Historical precedent for academic publishing in computer science is established through the study of anecdotes as well as statistics collected from databases of published computer science papers. After examining these facts alongside information about analogous publishing situations and standards in other scientific fields, the article concludes with a list of basic principles that should be adopted in any computer science publishing standard. These principles would contribute to the reliability and scientific nature of academic publications in computer science and would allow for more straightforward discourse in future publications.

The emergence of cognitive hearing science.

PubMed

Arlinger, Stig; Lunner, Thomas; Lyxell, Björn; Pichora-Fuller, M Kathleen

2009-10-01

Cognitive Hearing Science or Auditory Cognitive Science is an emerging field of interdisciplinary research concerning the interactions between hearing and cognition. It follows a trend over the last half century for interdisciplinary fields to develop, beginning with Neuroscience, then Cognitive Science, then Cognitive Neuroscience, and then Cognitive Vision Science. A common theme is that an interdisciplinary approach is necessary to understand complex human behaviors, to develop technologies incorporating knowledge of these behaviors, and to find solutions for individuals with impairments that undermine typical behaviors. Accordingly, researchers in traditional academic disciplines, such as Psychology, Physiology, Linguistics, Philosophy, Anthropology, and Sociology benefit from collaborations with each other, and with researchers in Computer Science and Engineering working on the design of technologies, and with health professionals working with individuals who have impairments. The factors that triggered the emergence of Cognitive Hearing Science include the maturation of the component disciplines of Hearing Science and Cognitive Science, new opportunities to use complex digital signal-processing to design technologies suited to performance in challenging everyday environments, and increasing social imperatives to help people whose communication problems span hearing and cognition. Cognitive Hearing Science is illustrated in research on three general topics: (1) language processing in challenging listening conditions; (2) use of auditory communication technologies or the visual modality to boost performance; (3) changes in performance with development, aging, and rehabilitative training. Future directions for modeling and the translation of research into practice are suggested.

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

NASA Astrophysics Data System (ADS)

Larsen, Elizabeth A.; Stubbs, Margaret L.

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

Democratizing Computer Science

ERIC Educational Resources Information Center

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

2015-01-01

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

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,…

Opening Comments: SciDAC 2009

NASA Astrophysics Data System (ADS)

Strayer, Michael

2009-07-01

Welcome to San Diego and the 2009 SciDAC conference. Over the next four days, I would like to present an assessment of the SciDAC program. We will look at where we've been, how we got to where we are and where we are going in the future. Our vision is to be first in computational science, to be best in class in modeling and simulation. When Ray Orbach asked me what I would do, in my job interview for the SciDAC Director position, I said we would achieve that vision. And with our collective dedicated efforts, we have managed to achieve this vision. In the last year, we have now the most powerful supercomputer for open science, Jaguar, the Cray XT system at the Oak Ridge Leadership Computing Facility (OLCF). We also have NERSC, probably the best-in-the-world program for productivity in science that the Office of Science so depends on. And the Argonne Leadership Computing Facility offers architectural diversity with its IBM Blue Gene/P system as a counterbalance to Oak Ridge. There is also ESnet, which is often understated—the 40 gigabit per second dual backbone ring that connects all the labs and many DOE sites. In the President's Recovery Act funding, there is exciting news that ESnet is going to build out to a 100 gigabit per second network using new optical technologies. This is very exciting news for simulations and large-scale scientific facilities. But as one noted SciDAC luminary said, it's not all about the computers—it's also about the science—and we are also achieving our vision in this area. Together with having the fastest supercomputer for science, at the SC08 conference, SciDAC researchers won two ACM Gordon Bell Prizes for the outstanding performance of their applications. The DCA++ code, which solves some very interesting problems in materials, achieved a sustained performance of 1.3 petaflops, an astounding result and a mark I suspect will last for some time. The LS3DF application for studying nanomaterials also required the development of a new and novel algorithm to produce results up to 400 times faster than a similar application, and was recognized with a prize for algorithm innovation—a remarkable achievement. Day one of our conference will include examples of petascale science enabled at the OLCF. Although Jaguar has not been officially commissioned, it has gone through its acceptance tests, and during its shakedown phase there have been pioneer applications used for the acceptance tests, and they are running at scale. These include applications in the areas of astrophysics, biology, chemistry, combustion, fusion, geosciences, materials science, nuclear energy and nuclear physics. We also have a whole compendium of science we do at our facilities; these have been documented and reviewed at our last SciDAC conference. Many of these were highlighted in our Breakthroughs Report. One session at this week's conference will feature a cross-section of these breakthroughs. In the area of scalable electromagnetic simulations, the Auxiliary-space Maxwell Solver (AMS) uses specialized finite element discretizations and multigrid-based techniques, which decompose the original problem into easier-to-solve subproblems. Congratulations to the mathematicians on this. Another application on the list of breakthroughs was the authentication of PETSc, which provides scalable solvers used in many DOE applications and has solved problems with over 3 billion unknowns and scaled to over 16,000 processors on DOE leadership-class computers. This is becoming a very versatile and useful toolkit to achieve performance at scale. With the announcement of SIAM's first class of Fellows, we are remarkably well represented. Of the group of 191, more than 40 of these Fellows are in the 'DOE space.' We are so delighted that SIAM has recognized them for their many achievements. In the coming months, we will illustrate our leadership in applied math and computer science by looking at our contributions in the areas of programming models, development and performance tools, math libraries, system software, collaboration, and visualization and data analytics. This is a large and diverse list of libraries. We have asked for two panels, one chaired by David Keyes and composed of many of the nation's leading mathematicians, to produce a report on the most significant accomplishments in applied mathematics over the last eight years, taking us back to the start of the SciDAC program. In addition, we have a similar panel in computer science to be chaired by Kathy Yelick. They are going to identify the computer science accomplishments of the past eight years. These accomplishments are difficult to get a handle on, and I'm looking forward to this report. We will also have a follow-on to our report on breakthroughs in computational science and this will also go back eight years, looking at the many accomplishments under the SciDAC and INCITE programs. This will be chaired by Tony Mezzacappa. So, where are we going in the SciDAC program? It might help to take a look at computational science and how it got started. I go back to Ken Wilson, who made the model and has written on computational science and computational science education. His model was thus: The computational scientist plays the role of the experimentalist, and the math and CS researchers play the role of theorists, and the computers themselves are the experimental apparatus. And that in simulation science, we are carrying out numerical experiments as to the nature of physical and biological sciences. Peter Lax, in the same time frame, developed a report on large-scale computing in science and engineering. Peter remarked, 'Perhaps the most important applications of scientific computing come not in the solution of old problems, but in the discovery of new phenomena through numerical experimentation.' And in the early years, I think the person who provided the most guidance, the most innovation and the most vision for where the future might lie was Ed Oliver. Ed Oliver died last year. Ed did a number of things in science. He had this personality where he knew exactly what to do, but he preferred to stay out of the limelight so that others could enjoy the fruits of his vision. We in the SciDAC program and ASCR Facilities are still enjoying the benefits of his vision. We will miss him. Twenty years after Ken Wilson, Ray Orbach laid out the fundamental premise for SciDAC in an interview that appeared in SciDAC Review: 'SciDAC is unique in the world. There isn't any other program like it anywhere else, and it has the remarkable ability to do science by bringing together physical scientists, mathematicians, applied mathematicians, and computer scientists who recognize that computation is not something you do at the end, but rather it needs to be built into the solution of the very problem that one is addressing. ' As you look at the Lax report from 1982, it talks about how 'Future significant improvements may have to come from architectures embodying parallel processing elements—perhaps several thousands of processors.' And it continues, 'esearch in languages, algorithms and numerical analysis will be crucial in learning to exploit these new architectures fully.' In the early '90s, Sterling, Messina and Smith developed a workshop report on petascale computing and concluded, 'A petaflops computer system will be feasible in two decades, or less, and rely in part on the continual advancement of the semiconductor industry both in speed enhancement and cost reduction through improved fabrication processes.' So they were not wrong, and today we are embarking on a forward look that is at a different scale, the exascale, going to 1018 flops. In 2007, Stevens, Simon and Zacharia chaired a series of town hall meetings looking at exascale computing, and in their report wrote, 'Exascale computer systems are expected to be technologically feasible within the next 15 years, or perhaps sooner. These systems will push the envelope in a number of important technologies: processor architecture, scale of multicore integration, power management and packaging.' The concept of computing on the Jaguar computer involves hundreds of thousands of cores, as do the IBM systems that are currently out there. So the scale of computing with systems with billions of processors is staggering to me, and I don't know how the software and math folks feel about it. We have now embarked on a road toward extreme scale computing. We have created a series of town hall meetings and we are now in the process of holding workshops that address what I call within the DOE speak 'the mission need,' or what is the scientific justification for computing at that scale. We are going to have a total of 13 workshops. The workshops on climate, high energy physics, nuclear physics, fusion, and nuclear energy have been held. The report from the workshop on climate is actually out and available, and the other reports are being completed. The upcoming workshops are on biology, materials, and chemistry; and workshops that engage science for nuclear security are a partnership between NNSA and ASCR. There are additional workshops on applied math, computer science, and architecture that are needed for computing at the exascale. These extreme scale workshops will provide the foundation in our office, the Office of Science, the NNSA and DOE, and we will engage the National Science Foundation and the Department of Defense as partners. We envision a 10-year program for an exascale initiative. It will be an integrated R&D program initially—you can think about five years for research and development—that would be in hardware, operating systems, file systems, networking and so on, as well as software for applications. Application software and the operating system and the hardware all need to be bundled in this period so that at the end the system will execute the science applications at scale. We also believe that this process will have to have considerable investment from the manufacturers and vendors to be successful. We have formed laboratory, university and industry working groups to start this process and formed a panel to look at where SciDAC needs to go to compute at the extreme scale, and we have formed an executive committee within the Office of Science and the NNSA to focus on these activities. We will have outreach to DoD in the next few months. We are anticipating a solicitation within the next two years in which we will compete this bundled R&D process. We don't know how we will incorporate SciDAC into extreme scale computing, but we do know there will be many challenges. And as we have shown over the years, we have the expertise and determination to surmount these challenges.

Computer Science and the Liberal Arts

ERIC Educational Resources Information Center

Shannon, Christine

2010-01-01

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

Marrying Content and Process in Computer Science Education

ERIC Educational Resources Information Center

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

2011-01-01

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

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

ERIC Educational Resources Information Center

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

2016-01-01

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

Approaching Gender Parity: Women in Computer Science at Afghanistan's Kabul University

ERIC Educational Resources Information Center

Plane, Jandelyn

2010-01-01

This study explores the representation of women in computer science at the tertiary level through data collected about undergraduate computer science education at Kabul University in Afghanistan. Previous studies have theorized reasons for underrepresentation of women in computer science, and while many of these reasons are indeed present in…

Some Hail 'Computational Science' as Biggest Advance Since Newton, Galileo.

ERIC Educational Resources Information Center

Turner, Judith Axler

1987-01-01

Computational science is defined as science done on a computer. A computer can serve as a laboratory for researchers who cannot experiment with their subjects, and as a calculator for those who otherwise might need centuries to solve some problems mathematically. The National Science Foundation's support of supercomputers is discussed. (MLW)

African-American males in computer science---Examining the pipeline for clogs

NASA Astrophysics Data System (ADS)

Stone, Daryl Bryant

The literature on African-American males (AAM) begins with a statement to the effect that "Today young Black men are more likely to be killed or sent to prison than to graduate from college." Why are the numbers of African-American male college graduates decreasing? Why are those enrolled in college not majoring in the science, technology, engineering, and mathematics (STEM) disciplines? This research explored why African-American males are not filling the well-recognized industry need for Computer Scientist/Technologists by choosing college tracks to these careers. The literature on STEM disciplines focuses largely on women in STEM, as opposed to minorities, and within minorities, there is a noticeable research gap in addressing the needs and opportunities available to African-American males. The primary goal of this study was therefore to examine the computer science "pipeline" from the African-American male perspective. The method included a "Computer Science Degree Self-Efficacy Scale" be distributed to five groups of African-American male students, to include: (1) fourth graders, (2) eighth graders, (3) eleventh graders, (4) underclass undergraduate computer science majors, and (5) upperclass undergraduate computer science majors. In addition to a 30-question self-efficacy test, subjects from each group were asked to participate in a group discussion about "African-American males in computer science." The audio record of each group meeting provides qualitative data for the study. The hypotheses include the following: (1) There is no significant difference in "Computer Science Degree" self-efficacy between fourth and eighth graders. (2) There is no significant difference in "Computer Science Degree" self-efficacy between eighth and eleventh graders. (3) There is no significant difference in "Computer Science Degree" self-efficacy between eleventh graders and lower-level computer science majors. (4) There is no significant difference in "Computer Science Degree" self-efficacy between lower-level computer science majors and upper-level computer science majors. (5) There is no significant difference in "Computer Science Degree" self-efficacy between each of the five groups of students. Finally, the researcher selected African-American male students attending six primary schools, including the predominately African-American elementary, middle and high school that the researcher attended during his own academic career. Additionally, a racially mixed elementary, middle and high school was selected from the same county in Maryland. Bowie State University provided both the underclass and upperclass computer science majors surveyed in this study. Of the five hypotheses, the sample provided enough evidence to support the claim that there are significant differences in the "Computer Science Degree" self-efficacy between each of the five groups of students. ANOVA analysis by question and total self-efficacy scores provided more results of statistical significance. Additionally, factor analysis and review of the qualitative data provide more insightful results. Overall, the data suggest 'a clog' may exist in the middle school level and students attending racially mixed schools were more confident in their computer, math and science skills. African-American males admit to spending lots of time on social networking websites and emailing, but are 'dis-aware' of the skills and knowledge needed to study in the computing disciplines. The majority of the subjects knew little, if any, AAMs in the 'computing discipline pipeline'. The collegian African-American males, in this study, agree that computer programming is a difficult area and serves as a 'major clog in the pipeline'.

Girls in computer science: A female only introduction class in high school

NASA Astrophysics Data System (ADS)

Drobnis, Ann W.

This study examined the impact of an all girls' classroom environment in a high school introductory computer science class on the student's attitudes towards computer science and their thoughts on future involvement with computer science. It was determined that an all girls' introductory class could impact the declining female enrollment and female students' efficacy towards computer science. This research was conducted in a summer school program through a regional magnet school for science and technology which these students attend during the school year. Three different groupings of students were examined for the research: female students in an all girls' class, female students in mixed-gender classes and male students in mixed-gender classes. A survey, Attitudes about Computers and Computer Science (ACCS), was designed to obtain an understanding of the students' thoughts, preconceptions, attitude, knowledge of computer science, and future intentions around computer science, both in education and career. Students in all three groups were administered the ACCS prior to taking the class and upon completion of the class. In addition, students in the all girls' class wrote in a journal throughout the course, and some of those students were also interviewed upon completion of the course. The data was analyzed using quantitative and qualitative techniques. While there were no major differences found in the quantitative data, it was determined that girls in the all girls' class were truly excited by what they had learned and were more open to the idea of computer science being a part of their future.

Rational approximations to rational models: alternative algorithms for category learning.

PubMed

Sanborn, Adam N; Griffiths, Thomas L; Navarro, Daniel J

2010-10-01

Rational models of cognition typically consider the abstract computational problems posed by the environment, assuming that people are capable of optimally solving those problems. This differs from more traditional formal models of cognition, which focus on the psychological processes responsible for behavior. A basic challenge for rational models is thus explaining how optimal solutions can be approximated by psychological processes. We outline a general strategy for answering this question, namely to explore the psychological plausibility of approximation algorithms developed in computer science and statistics. In particular, we argue that Monte Carlo methods provide a source of rational process models that connect optimal solutions to psychological processes. We support this argument through a detailed example, applying this approach to Anderson's (1990, 1991) rational model of categorization (RMC), which involves a particularly challenging computational problem. Drawing on a connection between the RMC and ideas from nonparametric Bayesian statistics, we propose 2 alternative algorithms for approximate inference in this model. The algorithms we consider include Gibbs sampling, a procedure appropriate when all stimuli are presented simultaneously, and particle filters, which sequentially approximate the posterior distribution with a small number of samples that are updated as new data become available. Applying these algorithms to several existing datasets shows that a particle filter with a single particle provides a good description of human inferences.

Spectral/ hp element methods: Recent developments, applications, and perspectives

NASA Astrophysics Data System (ADS)

Xu, Hui; Cantwell, Chris D.; Monteserin, Carlos; Eskilsson, Claes; Engsig-Karup, Allan P.; Sherwin, Spencer J.

2018-02-01

The spectral/ hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials, modified to accommodate a C 0 - continuous expansion. Computationally and theoretically, by increasing the polynomial order p, high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/ hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/ hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order to use the spectral/ hp element method in more complex science and engineering applications are discussed.

Development of a PC-based ground support system for a small satellite instrument

NASA Astrophysics Data System (ADS)

Deschambault, Robert L.; Gregory, Philip R.; Spenler, Stephen; Whalen, Brian A.

1993-11-01

The importance of effective ground support for the remote control and data retrieval of a satellite instrument cannot be understated. Problems with ground support may include the need to base personnel at a ground tracking station for extended periods, and the delay between the instrument observation and the processing of the data by the science team. Flexible solutions to such problems in the case of small satellite systems are provided by using low-cost, powerful personal computers and off-the-shelf software for data acquisition and processing, and by using Internet as a communication pathway to enable scientists to view and manipulate satellite data in real time at any ground location. The personal computer based ground support system is illustrated for the case of the cold plasma analyzer flown on the Freja satellite. Commercial software was used as building blocks for writing the ground support equipment software. Several levels of hardware support, including unit tests and development, functional tests, and integration were provided by portable and desktop personal computers. Satellite stations in Saskatchewan and Sweden were linked to the science team via phone lines and Internet, which provided remote control through a central point. These successful strategies will be used on future small satellite space programs.

seismo-live: Training in Seismology using Jupyter Notebooks

NASA Astrophysics Data System (ADS)

Igel, Heiner; Krischer, Lion; van Driel, Martin; Tape, Carl

2017-04-01

Practical training in computational methodologies is still underrepresented in Earth science curriculae despite the increasing use of sometimes highly sophisticated simulation and data processing technologies in research projects. At the same time well-engineered community codes make it easy to return results yet with the danger that the inherent traps of black-box solutions are not well understood. For this purpose we have initiated a community platform (www.seismo-live.org) where Python-based Jupyter notebooks can be accessed and run without necessary downloads or local software installations. The increasingly popular Jupyter notebooks allow combining markup language, graphics, equations, with interactive, executable python codes. The platform already includes general Python training, introduction to the ObsPy library for seismology as well as seismic data processing, noise analysis, and a variety of forward solvers for seismic wave propagation. In addition, an example is shown how Jupyter notebooks can be used to increase reproducibility of published results. Submission of Jupyter notebooks for general seismology are encouraged. The platform can be used for complementary teaching in Earth Science courses on compute-intensive research areas. We present recent developments and new features.

Science in the cloud (SIC): A use case in MRI connectomics

PubMed Central

Gorgolewski, Krzysztof J.; Kleissas, Dean; Roncal, William Gray; Litt, Brian; Wandell, Brian; Poldrack, Russel A.; Wiener, Martin; Vogelstein, R. Jacob; Burns, Randal

2017-01-01

Abstract Modern technologies are enabling scientists to collect extraordinary amounts of complex and sophisticated data across a huge range of scales like never before. With this onslaught of data, we can allow the focal point to shift from data collection to data analysis. Unfortunately, lack of standardized sharing mechanisms and practices often make reproducing or extending scientific results very difficult. With the creation of data organization structures and tools that drastically improve code portability, we now have the opportunity to design such a framework for communicating extensible scientific discoveries. Our proposed solution leverages these existing technologies and standards, and provides an accessible and extensible model for reproducible research, called ‘science in the cloud’ (SIC). Exploiting scientific containers, cloud computing, and cloud data services, we show the capability to compute in the cloud and run a web service that enables intimate interaction with the tools and data presented. We hope this model will inspire the community to produce reproducible and, importantly, extensible results that will enable us to collectively accelerate the rate at which scientific breakthroughs are discovered, replicated, and extended. PMID:28327935

Afterbody Heating Predictions for a Mars Science Laboratory Entry Vehicle

NASA Technical Reports Server (NTRS)

Edquist, Karl T.

2005-01-01

The Mars Science Laboratory mission intends to deliver a large rover to the Martian surface within 10 km of its target site. One candidate entry vehicle aeroshell consists of a 3.75-m diameter, 70-deg sphere-cone forebody and a biconic afterbody similar to that of Viking. This paper presents computational fluid dynamics predictions of laminar afterbody heating rates for this configuration and a 2010 arrival at Mars. Computational solutions at flight conditions used an 8-species Mars gas model in chemical and thermal non-equilibrium. A grid resolution study examined the effects of mesh spacing on afterbody heating rates and resulted in grids used for heating predictions on a reference entry trajectory. Afterbody heating rate reaches its maximum value near 0.6 W/sq cm on the first windward afterbody cone at the time of peak freestream dynamic pressure. Predicted afterbody heating rates generally are below 3% of the forebody laminar nose cap heating rate throughout the design trajectory. The heating rates integrated over time provide total heat load during entry, which drives thermal protection material thickness.

Science in the cloud (SIC): A use case in MRI connectomics.

PubMed

Kiar, Gregory; Gorgolewski, Krzysztof J; Kleissas, Dean; Roncal, William Gray; Litt, Brian; Wandell, Brian; Poldrack, Russel A; Wiener, Martin; Vogelstein, R Jacob; Burns, Randal; Vogelstein, Joshua T

2017-05-01

Modern technologies are enabling scientists to collect extraordinary amounts of complex and sophisticated data across a huge range of scales like never before. With this onslaught of data, we can allow the focal point to shift from data collection to data analysis. Unfortunately, lack of standardized sharing mechanisms and practices often make reproducing or extending scientific results very difficult. With the creation of data organization structures and tools that drastically improve code portability, we now have the opportunity to design such a framework for communicating extensible scientific discoveries. Our proposed solution leverages these existing technologies and standards, and provides an accessible and extensible model for reproducible research, called 'science in the cloud' (SIC). Exploiting scientific containers, cloud computing, and cloud data services, we show the capability to compute in the cloud and run a web service that enables intimate interaction with the tools and data presented. We hope this model will inspire the community to produce reproducible and, importantly, extensible results that will enable us to collectively accelerate the rate at which scientific breakthroughs are discovered, replicated, and extended. © The Author 2017. Published by Oxford University Press.

Bringing computational science to the public.

PubMed

McDonagh, James L; Barker, Daniel; Alderson, Rosanna G

2016-01-01

The increasing use of computers in science allows for the scientific analyses of large datasets at an increasing pace. We provided examples and interactive demonstrations at Dundee Science Centre as part of the 2015 Women in Science festival, to present aspects of computational science to the general public. We used low-cost Raspberry Pi computers to provide hands on experience in computer programming and demonstrated the application of computers to biology. Computer games were used as a means to introduce computers to younger visitors. The success of the event was evaluated by voluntary feedback forms completed by visitors, in conjunction with our own self-evaluation. This work builds on the original work of the 4273π bioinformatics education program of Barker et al. (2013, BMC Bioinform. 14:243). 4273π provides open source education materials in bioinformatics. This work looks at the potential to adapt similar materials for public engagement events. It appears, at least in our small sample of visitors (n = 13), that basic computational science can be conveyed to people of all ages by means of interactive demonstrations. Children as young as five were able to successfully edit simple computer programs with supervision. This was, in many cases, their first experience of computer programming. The feedback is predominantly positive, showing strong support for improving computational science education, but also included suggestions for improvement. Our conclusions are necessarily preliminary. However, feedback forms suggest methods were generally well received among the participants; "Easy to follow. Clear explanation" and "Very easy. Demonstrators were very informative." Our event, held at a local Science Centre in Dundee, demonstrates that computer games and programming activities suitable for young children can be performed alongside a more specialised and applied introduction to computational science for older visitors.

Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

DOE PAGES

Fellinger, Michael R.; Hector, Louis G.; Trinkle, Dallas R.

2016-10-28

Here, we present an efficient methodology for computing solute-induced changes in lattice parameters and elastic stiffness coefficients Cij of single crystals using density functional theory. We also introduce a solute strain misfit tensor that quantifies how solutes change lattice parameters due to the stress they induce in the host crystal. Solutes modify the elastic stiffness coefficients through volumetric changes and by altering chemical bonds. We compute each of these contributions to the elastic stiffness coefficients separately, and verify that their sum agrees with changes in the elastic stiffness coefficients computed directly using fully optimized supercells containing solutes. Computing the twomore » elastic stiffness contributions separately is more computationally efficient and provides more information on solute effects than the direct calculations. We compute the solute dependence of polycrystalline averaged shear and Young's moduli from the solute dependence of the single-crystal Cij. We then apply this methodology to substitutional Al, B, Cu, Mn, Si solutes and octahedral interstitial C and N solutes in bcc Fe. Comparison with experimental data indicates that our approach accurately predicts solute-induced changes in the lattice parameter and elastic coefficients. The computed data can be used to quantify solute-induced changes in mechanical properties such as strength and ductility, and can be incorporated into mesoscale models to improve their predictive capabilities.« less

Computer Science and Telecommunications Board summary of activities

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

Blumenthal, M.S.

1992-03-27

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

Research in applied mathematics, numerical analysis, and computer science

NASA Technical Reports Server (NTRS)

1984-01-01

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

Time series change detection: Algorithms for land cover change

NASA Astrophysics Data System (ADS)

Boriah, Shyam

The climate and earth sciences have recently undergone a rapid transformation from a data-poor to a data-rich environment. In particular, climate and ecosystem related observations from remote sensors on satellites, as well as outputs of climate or earth system models from large-scale computational platforms, provide terabytes of temporal, spatial and spatio-temporal data. These massive and information-rich datasets offer huge potential for advancing the science of land cover change, climate change and anthropogenic impacts. One important area where remote sensing data can play a key role is in the study of land cover change. Specifically, the conversion of natural land cover into humandominated cover types continues to be a change of global proportions with many unknown environmental consequences. In addition, being able to assess the carbon risk of changes in forest cover is of critical importance for both economic and scientific reasons. In fact, changes in forests account for as much as 20% of the greenhouse gas emissions in the atmosphere, an amount second only to fossil fuel emissions. Thus, there is a need in the earth science domain to systematically study land cover change in order to understand its impact on local climate, radiation balance, biogeochemistry, hydrology, and the diversity and abundance of terrestrial species. Land cover conversions include tree harvests in forested regions, urbanization, and agricultural intensification in former woodland and natural grassland areas. These types of conversions also have significant public policy implications due to issues such as water supply management and atmospheric CO2 output. In spite of the importance of this problem and the considerable advances made over the last few years in high-resolution satellite data, data mining, and online mapping tools and services, end users still lack practical tools to help them manage and transform this data into actionable knowledge of changes in forest ecosystems that can be used for decision making and policy planning purposes. In particular, previous change detection studies have primarily relied on examining differences between two or more satellite images acquired on different dates. Thus, a technological solution that detects global land cover change using high temporal resolution time series data will represent a paradigm-shift in the field of land cover change studies. To realize these ambitious goals, a number of computational challenges in spatio-temporal data mining need to be addressed. Specifically, analysis and discovery approaches need to be cognizant of climate and ecosystem data characteristics such as seasonality, non-stationarity/inter-region variability, multi-scale nature, spatio-temporal autocorrelation, high-dimensionality and massive data size. This dissertation, a step in that direction, translates earth science challenges to computer science problems, and provides computational solutions to address these problems. In particular, three key technical capabilities are developed: (1) Algorithms for time series change detection that are effective and can scale up to handle the large size of earth science data; (2) Change detection algorithms that can handle large numbers of missing and noisy values present in satellite data sets; and (3) Spatio-temporal analysis techniques to identify the scale and scope of disturbance events.

Genomic cloud computing: legal and ethical points to consider

PubMed Central

Dove, Edward S; Joly, Yann; Tassé, Anne-Marie; Burton, Paul; Chisholm, Rex; Fortier, Isabel; Goodwin, Pat; Harris, Jennifer; Hveem, Kristian; Kaye, Jane; Kent, Alistair; Knoppers, Bartha Maria; Lindpaintner, Klaus; Little, Julian; Riegman, Peter; Ripatti, Samuli; Stolk, Ronald; Bobrow, Martin; Cambon-Thomsen, Anne; Dressler, Lynn; Joly, Yann; Kato, Kazuto; Knoppers, Bartha Maria; Rodriguez, Laura Lyman; McPherson, Treasa; Nicolás, Pilar; Ouellette, Francis; Romeo-Casabona, Carlos; Sarin, Rajiv; Wallace, Susan; Wiesner, Georgia; Wilson, Julia; Zeps, Nikolajs; Simkevitz, Howard; De Rienzo, Assunta; Knoppers, Bartha M

2015-01-01

The biggest challenge in twenty-first century data-intensive genomic science, is developing vast computer infrastructure and advanced software tools to perform comprehensive analyses of genomic data sets for biomedical research and clinical practice. Researchers are increasingly turning to cloud computing both as a solution to integrate data from genomics, systems biology and biomedical data mining and as an approach to analyze data to solve biomedical problems. Although cloud computing provides several benefits such as lower costs and greater efficiency, it also raises legal and ethical issues. In this article, we discuss three key ‘points to consider' (data control; data security, confidentiality and transfer; and accountability) based on a preliminary review of several publicly available cloud service providers' Terms of Service. These ‘points to consider' should be borne in mind by genomic research organizations when negotiating legal arrangements to store genomic data on a large commercial cloud service provider's servers. Diligent genomic cloud computing means leveraging security standards and evaluation processes as a means to protect data and entails many of the same good practices that researchers should always consider in securing their local infrastructure. PMID:25248396

Genomic cloud computing: legal and ethical points to consider.

PubMed

Dove, Edward S; Joly, Yann; Tassé, Anne-Marie; Knoppers, Bartha M

2015-10-01

The biggest challenge in twenty-first century data-intensive genomic science, is developing vast computer infrastructure and advanced software tools to perform comprehensive analyses of genomic data sets for biomedical research and clinical practice. Researchers are increasingly turning to cloud computing both as a solution to integrate data from genomics, systems biology and biomedical data mining and as an approach to analyze data to solve biomedical problems. Although cloud computing provides several benefits such as lower costs and greater efficiency, it also raises legal and ethical issues. In this article, we discuss three key 'points to consider' (data control; data security, confidentiality and transfer; and accountability) based on a preliminary review of several publicly available cloud service providers' Terms of Service. These 'points to consider' should be borne in mind by genomic research organizations when negotiating legal arrangements to store genomic data on a large commercial cloud service provider's servers. Diligent genomic cloud computing means leveraging security standards and evaluation processes as a means to protect data and entails many of the same good practices that researchers should always consider in securing their local infrastructure.

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

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

Simon, Horst D.; Kramer, William T.C.; Bailey, David H.

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

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

ERIC Educational Resources Information Center

Stoilescu, Dorian; Egodawatte, Gunawardena

2010-01-01

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

A derivation of the beam equation

NASA Astrophysics Data System (ADS)

Duque, Daniel

2016-01-01

The Euler-Bernoulli equation describing the deflection of a beam is a vital tool in structural and mechanical engineering. However, its derivation usually entails a number of intermediate steps that may confuse engineering or science students at the beginnig of their undergraduate studies. We explain how this equation may be deduced, beginning with an approximate expression for the energy, from which the forces and finally the equation itself may be obtained. The description is begun at the level of small ‘particles’, and the continuum level is taken later on. However, when a computational solution is sought, the description turns back to the discrete level again. We first consider the easier case of a string under tension, and then focus on the beam. Numerical solutions for several loads are obtained.

Opportunities for Computational Discovery in Basic Energy Sciences

NASA Astrophysics Data System (ADS)

Pederson, Mark

2011-03-01

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

Research | Computational Science | NREL

Science.gov Websites

Research Research NREL's computational science experts use advanced high-performance computing (HPC technologies, thereby accelerating the transformation of our nation's energy system. Enabling High-Impact Research NREL's computational science capabilities enable high-impact research. Some recent examples

On the Computation of Finite Invariant Sets of Mappings.

DTIC Science & Technology

1988-02-01

for the calculation of such invariant cycles. We refer here only to Doedel [1], looss et al [3], Kevrekidis et al [4], Van Veldhuizen ,[6], where further... van Veldhuizen , On Polygonal Approximations of an Invariant Curve, Dept.of Mathem. and Comp. Science, Vrije Universiteit Amsterdam, Techni- cal Report 1987, Math. Comp. to appear DATE Fl .LMED ...of van der Pol’s equation " x2) x - A(l - x ) X’ + x - 0 (16) As shown, for example in [2], the solution satisfies x - 2 cos(wt)+ A (0.75 sin(wt

Improved numerical solutions for chaotic-cancer-model

NASA Astrophysics Data System (ADS)

Yasir, Muhammad; Ahmad, Salman; Ahmed, Faizan; Aqeel, Muhammad; Akbar, Muhammad Zubair

2017-01-01

In biological sciences, dynamical system of cancer model is well known due to its sensitivity and chaoticity. Present work provides detailed computational study of cancer model by counterbalancing its sensitive dependency on initial conditions and parameter values. Cancer chaotic model is discretized into a system of nonlinear equations that are solved using the well-known Successive-Over-Relaxation (SOR) method with a proven convergence. This technique enables to solve large systems and provides more accurate approximation which is illustrated through tables, time history maps and phase portraits with detailed analysis.

Numerical Schemes and Computational Studies for Dynamically Orthogonal Equations (Multidisciplinary Simulation, Estimation, and Assimilation Systems: Reports in Ocean Science and Engineering)

DTIC Science & Technology

2011-08-01

heat transfers [49, 52]. However, the DO method has not yet been applied to Boussinesq flows, and the numerical challenges of the DO decomposition for...used a PCE scheme to study mixing in a two-dimensional (2D) microchannel and improved the efficiency of their solution scheme by decoupling the...to several Navier-Stokes flows and their stochastic dynamics has been studied, including mean-mode and mode-mode energy transfers for 2D flows and

Proceedings of US-Latin American Workshop on Molecular and Materials Sciences: Theoretical and Computational Aspects Held in Gainesville, Florida on 10-12 March 1993

DTIC Science & Technology

1994-08-09

City Josd Rdamier and R. Iterative Bogoliubov Transformations and Applications Jauregui Inst. de Fisica , Cuernavaca, Meiico Peter J. Reynolds Quantum...University, Provo, UT 84602 J. R•camier Instituto de Fisica , UNAM, Cuernavaca, Mor., MWxico Gamow states are solutions to the Schr6dinger equation with a...Coutinho Departamento de FAsica do UFPE 50732-910 Recife, PE, Brazil and Jnstituto de Fisica da USP, Czp 20516 01498-970 Sdo Paulo, SP, Brasil The

Using Multi-Core Systems for Rover Autonomy

NASA Technical Reports Server (NTRS)

Clement, Brad; Estlin, Tara; Bornstein, Benjamin; Springer, Paul; Anderson, Robert C.

2010-01-01

Task Objectives are: (1) Develop and demonstrate key capabilities for rover long-range science operations using multi-core computing, (a) Adapt three rover technologies to execute on SOA multi-core processor (b) Illustrate performance improvements achieved (c) Demonstrate adapted capabilities with rover hardware, (2) Targeting three high-level autonomy technologies (a) Two for onboard data analysis (b) One for onboard command sequencing/planning, (3) Technologies identified as enabling for future missions, (4)Benefits will be measured along several metrics: (a) Execution time / Power requirements (b) Number of data products processed per unit time (c) Solution quality

Use of a Computer Language in Teaching Dynamic Programming. Final Report.

ERIC Educational Resources Information Center

Trimble, C. J.; And Others

Most optimization problems of any degree of complexity must be solved using a computer. In the teaching of dynamic programing courses, it is often desirable to use a computer in problem solution. The solution process involves conceptual formulation and computational Solution. Generalized computer codes for dynamic programing problem solution…

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.

The Assessment of Taiwanese College Students' Conceptions of and Approaches to Learning Computer Science and Their Relationships

ERIC Educational Resources Information Center

Liang, Jyh-Chong; Su, Yi-Ching; Tsai, Chin-Chung

2015-01-01

The aim of this study was to explore Taiwanese college students' conceptions of and approaches to learning computer science and then explore the relationships between the two. Two surveys, Conceptions of Learning Computer Science (COLCS) and Approaches to Learning Computer Science (ALCS), were administered to 421 college students majoring in…

The Effects of Integrating Service Learning into Computer Science: An Inter-Institutional Longitudinal Study

ERIC Educational Resources Information Center

Payton, Jamie; Barnes, Tiffany; Buch, Kim; Rorrer, Audrey; Zuo, Huifang

2015-01-01

This study is a follow-up to one published in computer science education in 2010 that reported preliminary results showing a positive impact of service learning on student attitudes associated with success and retention in computer science. That paper described how service learning was incorporated into a computer science course in the context of…

Enhanced delegated computing using coherence

NASA Astrophysics Data System (ADS)

Barz, Stefanie; Dunjko, Vedran; Schlederer, Florian; Moore, Merritt; Kashefi, Elham; Walmsley, Ian A.

2016-03-01

A longstanding question is whether it is possible to delegate computational tasks securely—such that neither the computation nor the data is revealed to the server. Recently, both a classical and a quantum solution to this problem were found [C. Gentry, in Proceedings of the 41st Annual ACM Symposium on the Theory of Computing (Association for Computing Machinery, New York, 2009), pp. 167-178; A. Broadbent, J. Fitzsimons, and E. Kashefi, in Proceedings of the 50th Annual Symposium on Foundations of Computer Science (IEEE Computer Society, Los Alamitos, CA, 2009), pp. 517-526]. Here, we study the first step towards the interplay between classical and quantum approaches and show how coherence can be used as a tool for secure delegated classical computation. We show that a client with limited computational capacity—restricted to an XOR gate—can perform universal classical computation by manipulating information carriers that may occupy superpositions of two states. Using single photonic qubits or coherent light, we experimentally implement secure delegated classical computations between an independent client and a server, which are installed in two different laboratories and separated by 50 m . The server has access to the light sources and measurement devices, whereas the client may use only a restricted set of passive optical devices to manipulate the information-carrying light beams. Thus, our work highlights how minimal quantum and classical resources can be combined and exploited for classical computing.

Realistic natural atmospheric phenomena and weather effects for interactive virtual environments

NASA Astrophysics Data System (ADS)

McLoughlin, Leigh

Clouds and the weather are important aspects of any natural outdoor scene, but existing dynamic techniques within computer graphics only offer the simplest of cloud representations. The problem that this work looks to address is how to provide a means of simulating clouds and weather features such as precipitation, that are suitable for virtual environments. Techniques for cloud simulation are available within the area of meteorology, but numerical weather prediction systems are computationally expensive, give more numerical accuracy than we require for graphics and are restricted to the laws of physics. Within computer graphics, we often need to direct and adjust physical features or to bend reality to meet artistic goals, which is a key difference between the subjects of computer graphics and physical science. Pure physically-based simulations, however, evolve their solutions according to pre-set rules and are notoriously difficult to control. The challenge then is for the solution to be computationally lightweight and able to be directed in some measure while at the same time producing believable results. This work presents a lightweight physically-based cloud simulation scheme that simulates the dynamic properties of cloud formation and weather effects. The system simulates water vapour, cloud water, cloud ice, rain, snow and hail. The water model incorporates control parameters and the cloud model uses an arbitrary vertical temperature profile, with a tool described to allow the user to define this. The result of this work is that clouds can now be simulated in near real-time complete with precipitation. The temperature profile and tool then provide a means of directing the resulting formation..

Non-Determinism: An Abstract Concept in Computer Science Studies

ERIC Educational Resources Information Center

Armoni, Michal; Gal-Ezer, Judith

2007-01-01

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

An Investigation of Primary School Science Teachers' Use of Computer Applications

ERIC Educational Resources Information Center

Ocak, Mehmet Akif; Akdemir, Omur

2008-01-01

This study investigated the level and frequency of science teachers' use of computer applications as an instructional tool in the classroom. The manner and frequency of science teachers' use of computer, their perceptions about integration of computer applications, and other factors contributed to changes in their computer literacy are…

Methodical Approaches to Teaching of Computer Modeling in Computer Science Course

ERIC Educational Resources Information Center

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

2015-01-01

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

Climate Modeling Computing Needs Assessment

NASA Astrophysics Data System (ADS)

Petraska, K. E.; McCabe, J. D.

2011-12-01

This paper discusses early findings of an assessment of computing needs for NASA science, engineering and flight communities. The purpose of this assessment is to document a comprehensive set of computing needs that will allow us to better evaluate whether our computing assets are adequately structured to meet evolving demand. The early results are interesting, already pointing out improvements we can make today to get more out of the computing capacity we have, as well as potential game changing innovations for the future in how we apply information technology to science computing. Our objective is to learn how to leverage our resources in the best way possible to do more science for less money. Our approach in this assessment is threefold: Development of use case studies for science workflows; Creating a taxonomy and structure for describing science computing requirements; and characterizing agency computing, analysis, and visualization resources. As projects evolve, science data sets increase in a number of ways: in size, scope, timelines, complexity, and fidelity. Generating, processing, moving, and analyzing these data sets places distinct and discernable requirements on underlying computing, analysis, storage, and visualization systems. The initial focus group for this assessment is the Earth Science modeling community within NASA's Science Mission Directorate (SMD). As the assessment evolves, this focus will expand to other science communities across the agency. We will discuss our use cases, our framework for requirements and our characterizations, as well as our interview process, what we learned and how we plan to improve our materials after using them in the first round of interviews in the Earth Science Modeling community. We will describe our plans for how to expand this assessment, first into the Earth Science data analysis and remote sensing communities, and then throughout the full community of science, engineering and flight at NASA.

Recovery Act: Web-based CO{sub 2} Subsurface Modeling

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

Paolini, Christopher; Castillo, Jose

2012-11-30

The Web-based CO{sub 2} Subsurface Modeling project focused primarily on extending an existing text-only, command-line driven, isothermal and isobaric, geochemical reaction-transport simulation code, developed and donated by Sienna Geodynamics, into an easier-to-use Web-based application for simulating long-term storage of CO{sub 2} in geologic reservoirs. The Web-based interface developed through this project, publically accessible via URL http://symc.sdsu.edu/, enables rapid prototyping of CO{sub 2} injection scenarios and allows students without advanced knowledge of geochemistry to setup a typical sequestration scenario, invoke a simulation, analyze results, and then vary one or more problem parameters and quickly re-run a simulation to answer what-if questions.more » symc.sdsu.edu has 2x12 core AMD Opteron™ 6174 2.20GHz processors and 16GB RAM. The Web-based application was used to develop a new computational science course at San Diego State University, COMP 670: Numerical Simulation of CO{sub 2} Sequestration, which was taught during the fall semester of 2012. The purpose of the class was to introduce graduate students to Carbon Capture, Use and Storage (CCUS) through numerical modeling and simulation, and to teach students how to interpret simulation results to make predictions about long-term CO{sub 2} storage capacity in deep brine reservoirs. In addition to the training and education component of the project, significant software development efforts took place. Two computational science doctoral and one geological science masters student, under the direction of the PIs, extended the original code developed by Sienna Geodynamics, named Sym.8. New capabilities were added to Sym.8 to simulate non-isothermal and non-isobaric flows of charged aqueous solutes in porous media, in addition to incorporating HPC support into the code for execution on many-core XSEDE clusters. A successful outcome of this project was the funding and training of three new computational science students and one geological science student in technologies relevant to carbon sequestration and problems involving flow in subsurface media. The three computational science students are currently finishing their doctorial studies on different aspects of modeling CO{sub 2} sequestration, while the geological science student completed his master’s thesis in modeling the thermal response of CO{sub 2} injection in brine and, as a direct result of participation in this project, is now employed at ExxonMobil as a full-time staff geologist.« less

Kenny Gruchalla | NREL

Science.gov Websites

feature extraction, human-computer interaction, and physics-based modeling. Professional Experience 2009 ., computer science, University of Colorado at Boulder M.S., computer science, University of Colorado at Boulder B.S., computer science, New Mexico Institute of Mining and Technology

Computer-aided design and computer science technology

NASA Technical Reports Server (NTRS)

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

1976-01-01

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

The effects of integrating service learning into computer science: an inter-institutional longitudinal study

NASA Astrophysics Data System (ADS)

Payton, Jamie; Barnes, Tiffany; Buch, Kim; Rorrer, Audrey; Zuo, Huifang

2015-07-01

This study is a follow-up to one published in computer science education in 2010 that reported preliminary results showing a positive impact of service learning on student attitudes associated with success and retention in computer science. That paper described how service learning was incorporated into a computer science course in the context of the Students & Technology in Academia, Research, and Service (STARS) Alliance, an NSF-supported broadening participation in computing initiative that aims to diversify the computer science pipeline through innovative pedagogy and inter-institutional partnerships. The current paper describes how the STARS Alliance has expanded to diverse institutions, all using service learning as a vehicle for broadening participation in computing and enhancing attitudes and behaviors associated with student success. Results supported the STARS model of service learning for enhancing computing efficacy and computing commitment and for providing diverse students with many personal and professional development benefits.

A brief history of the most remarkable numbers e, i and γ in mathematical sciences with applications

NASA Astrophysics Data System (ADS)

Debnath, Lokenath

2015-08-01

This paper deals with a brief history of the most remarkable Euler numbers e, i and γ in mathematical sciences. Included are many properties of the constants e, i and γ and their applications in algebra, geometry, physics, chemistry, ecology, business and industry. Special attention is given to the growth and decay phenomena in many real-world problems including stability and instability of their solutions. Some specific and modern applications of logarithms, complex numbers and complex exponential functions to electrical circuits and mechanical systems are presented with examples. Included are the use of complex numbers and complex functions in the description and analysis of chaos and fractals with the aid of modern computer technology. In addition, the phasor method is described with examples of applications in engineering science. The major focus of this paper is to provide basic information through historical approach to mathematics teaching and learning of the fundamental knowledge and skills required for students and teachers at all levels so that they can understand the concepts of mathematics, and mathematics education in science and technology.

Weighing the Balance of Science Literacy in Education and Public Policy

NASA Astrophysics Data System (ADS)

Buxner, S.; Impey, C.; Johnson, B.

2015-11-01

Science literacy is a concern of educators and policy makers in the United States and all over the world. Science literacy is defined by society and includes important knowledge for individuals that varies with culture and local knowledge systems. The technological societies of the western world have delegated the knowledge that underpins their everyday world to mechanics who know how their cars work, technicians who know how their computers work, and policy wonks who know how their individual choices and actions will affect the environment and their health. The scientific principles that frame and sculpt the technological world are invisible and mysterious to most people. A question for debate is whether or not this is a healthy situation or not, and if not, what to do about it. The panelists shared their prospects and challenges of building science literacy with individuals in the United States and with Tibetan monks. As they discussed their efforts working with these different populations, they shared lessons based on common issues and unique solutions based on local knowledge systems and communities of learners.

ICASE Computer Science Program

NASA Technical Reports Server (NTRS)

1985-01-01

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

The Next Generation of Lab and Classroom Computing - The Silver Lining

DTIC Science & Technology

2016-12-01

desktop infrastructure (VDI) solution, as well as the computing solutions at three universities, was selected as the basis for comparison. The research... infrastructure , VDI, hardware cost, software cost, manpower, availability, cloud computing, private cloud, bring your own device, BYOD, thin client...virtual desktop infrastructure (VDI) solution, as well as the computing solutions at three universities, was selected as the basis for comparison. The

Towards Modeling False Memory With Computational Knowledge Bases.

PubMed

Li, Justin; Kohanyi, Emma

2017-01-01

One challenge to creating realistic cognitive models of memory is the inability to account for the vast common-sense knowledge of human participants. Large computational knowledge bases such as WordNet and DBpedia may offer a solution to this problem but may pose other challenges. This paper explores some of these difficulties through a semantic network spreading activation model of the Deese-Roediger-McDermott false memory task. In three experiments, we show that these knowledge bases only capture a subset of human associations, while irrelevant information introduces noise and makes efficient modeling difficult. We conclude that the contents of these knowledge bases must be augmented and, more important, that the algorithms must be refined and optimized, before large knowledge bases can be widely used for cognitive modeling. Copyright © 2016 Cognitive Science Society, Inc.

The ultimatum game: Discrete vs. continuous offers

NASA Astrophysics Data System (ADS)

Dishon-Berkovits, Miriam; Berkovits, Richard

2014-09-01

In many experimental setups in social-sciences, psychology and economy the subjects are requested to accept or dispense monetary compensation which is usually given in discrete units. Using computer and mathematical modeling we show that in the framework of studying the dynamics of acceptance of proposals in the ultimatum game, the long time dynamics of acceptance of offers in the game are completely different for discrete vs. continuous offers. For discrete values the dynamics follow an exponential behavior. However, for continuous offers the dynamics are described by a power-law. This is shown using an agent based computer simulation as well as by utilizing an analytical solution of a mean-field equation describing the model. These findings have implications to the design and interpretation of socio-economical experiments beyond the ultimatum game.

A Framework for Multi-Stakeholder Decision-Making and ...

EPA Pesticide Factsheets

This contribution describes the implementation of the conditional-value-at-risk (CVaR) metric to create a general multi-stakeholder decision-making framework. It is observed that stakeholder dissatisfactions (distance to their individual ideal solutions) can be interpreted as random variables. We thus shape the dissatisfaction distribution and find an optimal compromise solution by solving a CVaR minimization problem parameterized in the probability level. This enables us to generalize multi-stakeholder settings previously proposed in the literature that minimizes average and worst-case dissatisfactions. We use the concept of the CVaR norm to give a geometric interpretation to this problem and use the properties of this norm to prove that the CVaR minimization problem yields Pareto optimal solutions for any choice of the probability level. We discuss a broad range of potential applications of the framework. We demonstrate the framework in a bio-waste processing facility location case study, where we seek compromise solutions (facility locations) that balance stakeholder priorities on transportation, safety, water quality, and capital costs. This conference presentation abstract explains a new decision-making framework that computes compromise solution alternatives (reach consensus) by mitigating dissatisfactions among stakeholders as needed for SHC Decision Science and Support Tools project.

Applications of Out-of-Domain Knowledge in Students' Reasoning about Computer Program State

ERIC Educational Resources Information Center

Lewis, Colleen Marie

2012-01-01

To meet a growing demand and a projected deficit in the supply of computer professionals (NCWIT, 2009), it is of vital importance to expand students' access to computer science. However, many researchers in the computer science education community unproductively assume that some students lack an innate ability for computer science and…

Fault-Tolerant, Radiation-Hard DSP

NASA Technical Reports Server (NTRS)

Czajkowski, David

2011-01-01

Commercial digital signal processors (DSPs) for use in high-speed satellite computers are challenged by the damaging effects of space radiation, mainly single event upsets (SEUs) and single event functional interrupts (SEFIs). Innovations have been developed for mitigating the effects of SEUs and SEFIs, enabling the use of very-highspeed commercial DSPs with improved SEU tolerances. Time-triple modular redundancy (TTMR) is a method of applying traditional triple modular redundancy on a single processor, exploiting the VLIW (very long instruction word) class of parallel processors. TTMR improves SEU rates substantially. SEFIs are solved by a SEFI-hardened core circuit, external to the microprocessor. It monitors the health of the processor, and if a SEFI occurs, forces the processor to return to performance through a series of escalating events. TTMR and hardened-core solutions were developed for both DSPs and reconfigurable field-programmable gate arrays (FPGAs). This includes advancement of TTMR algorithms for DSPs and reconfigurable FPGAs, plus a rad-hard, hardened-core integrated circuit that services both the DSP and FPGA. Additionally, a combined DSP and FPGA board architecture was fully developed into a rad-hard engineering product. This technology enables use of commercial off-the-shelf (COTS) DSPs in computers for satellite and other space applications, allowing rapid deployment at a much lower cost. Traditional rad-hard space computers are very expensive and typically have long lead times. These computers are either based on traditional rad-hard processors, which have extremely low computational performance, or triple modular redundant (TMR) FPGA arrays, which suffer from power and complexity issues. Even more frustrating is that the TMR arrays of FPGAs require a fixed, external rad-hard voting element, thereby causing them to lose much of their reconfiguration capability and in some cases significant speed reduction. The benefits of COTS high-performance signal processing include significant increase in onboard science data processing, enabling orders of magnitude reduction in required communication bandwidth for science data return, orders of magnitude improvement in onboard mission planning and critical decision making, and the ability to rapidly respond to changing mission environments, thus enabling opportunistic science and orders of magnitude reduction in the cost of mission operations through reduction of required staff. Additional benefits of COTS-based, high-performance signal processing include the ability to leverage considerable commercial and academic investments in advanced computing tools, techniques, and infra structure, and the familiarity of the science and IT community with these computing environments.

Approaches to Classroom-Based Computational Science.

ERIC Educational Resources Information Center

Guzdial, Mark

Computational science includes the use of computer-based modeling and simulation to define and test theories about scientific phenomena. The challenge for educators is to develop techniques for implementing computational science in the classroom. This paper reviews some previous work on the use of simulation alone (without modeling), modeling…

Defining Computational Thinking for Mathematics and Science Classrooms

ERIC Educational Resources Information Center

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

2016-01-01

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

NASA Center for Computational Sciences: History and Resources

NASA Technical Reports Server (NTRS)

2000-01-01

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

Institute for Computer Applications in Science and Engineering (ICASE)

NASA Technical Reports Server (NTRS)

1984-01-01

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

Computers in Science: Thinking Outside the Discipline.

ERIC Educational Resources Information Center

Hamilton, Todd M.

2003-01-01

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

78 FR 64255 - Advisory Committee for Computer and Information Science and Engineering; Cancellation of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-28

... NATIONAL SCIENCE FOUNDATION Advisory Committee for Computer and Information Science and Engineering; Cancellation of Meeting SUMMARY: As a result of the impact of the recent government shutdown, the... Committee for Computer and Information Science and Engineering meeting. The public notice for this committee...

Exemplary Science Teachers' Use of Technology

ERIC Educational Resources Information Center

Hakverdi-Can, Meral; Dana, Thomas M.

2012-01-01

The purpose of this study is to examine exemplary science teachers' level of computer use, their knowledge/skills in using specific computer applications for science instruction, their use of computer-related applications/tools during their instruction, how often they required their students to use those applications in or for their science class…

A hybrid computational-experimental approach for automated crystal structure solution

NASA Astrophysics Data System (ADS)

Meredig, Bryce; Wolverton, C.

2013-02-01

Crystal structure solution from diffraction experiments is one of the most fundamental tasks in materials science, chemistry, physics and geology. Unfortunately, numerous factors render this process labour intensive and error prone. Experimental conditions, such as high pressure or structural metastability, often complicate characterization. Furthermore, many materials of great modern interest, such as batteries and hydrogen storage media, contain light elements such as Li and H that only weakly scatter X-rays. Finally, structural refinements generally require significant human input and intuition, as they rely on good initial guesses for the target structure. To address these many challenges, we demonstrate a new hybrid approach, first-principles-assisted structure solution (FPASS), which combines experimental diffraction data, statistical symmetry information and first-principles-based algorithmic optimization to automatically solve crystal structures. We demonstrate the broad utility of FPASS to clarify four important crystal structure debates: the hydrogen storage candidates MgNH and NH3BH3; Li2O2, relevant to Li-air batteries; and high-pressure silane, SiH4.

A scheme to calculate higher-order homogenization as applied to micro-acoustic boundary value problems

NASA Astrophysics Data System (ADS)

Vagh, Hardik A.; Baghai-Wadji, Alireza

2008-12-01

Current technological challenges in materials science and high-tech device industry require the solution of boundary value problems (BVPs) involving regions of various scales, e.g. multiple thin layers, fibre-reinforced composites, and nano/micro pores. In most cases straightforward application of standard variational techniques to BVPs of practical relevance necessarily leads to unsatisfactorily ill-conditioned analytical and/or numerical results. To remedy the computational challenges associated with sub-sectional heterogeneities various sophisticated homogenization techniques need to be employed. Homogenization refers to the systematic process of smoothing out the sub-structural heterogeneities, leading to the determination of effective constitutive coefficients. Ordinarily, homogenization involves a sophisticated averaging and asymptotic order analysis to obtain solutions. In the majority of the cases only zero-order terms are constructed due to the complexity of the processes involved. In this paper we propose a constructive scheme for obtaining homogenized solutions involving higher order terms, and thus, guaranteeing higher accuracy and greater robustness of the numerical results. We present

Software Reviews.

ERIC Educational Resources Information Center

Science and Children, 1990

1990-01-01

Reviewed are seven computer software packages for IBM and/or Apple Computers. Included are "Windows on Science: Volume 1--Physical Science"; "Science Probe--Physical Science"; "Wildlife Adventures--Grizzly Bears"; "Science Skills--Development Programs"; "The Clean Machine"; "Rock Doctor";…

An Overview of NASA's Intelligent Systems Program

NASA Technical Reports Server (NTRS)

Cooke, Daniel E.; Norvig, Peter (Technical Monitor)

2001-01-01

NASA and the Computer Science Research community are poised to enter a critical era. An era in which - it seems - that each needs the other. Market forces, driven by the immediate economic viability of computer science research results, place Computer Science in a relatively novel position. These forces impact how research is done, and could, in worst case, drive the field away from significant innovation opting instead for incremental advances that result in greater stability in the market place. NASA, however, requires significant advances in computer science research in order to accomplish the exploration and science agenda it has set out for itself. NASA may indeed be poised to advance computer science research in this century much the way it advanced aero-based research in the last.

A Review of Models for Teacher Preparation Programs for Precollege Computer Science Education.

ERIC Educational Resources Information Center

Deek, Fadi P.; Kimmel, Howard

2002-01-01

Discusses the need for adequate precollege computer science education and focuses on the issues of teacher preparation programs and requirements needed to teach high school computer science. Presents models of teacher preparation programs and compares state requirements with Association for Computing Machinery (ACM) recommendations. (Author/LRW)

A DDC Bibliography on Computers in Information Sciences. Volume II. Information Sciences Series.

ERIC Educational Resources Information Center

Defense Documentation Center, Alexandria, VA.

The unclassified and unlimited bibliography compiles references dealing specifically with the role of computers in information sciences. The volume contains 239 annotated references grouped under three major headings: Artificial and Programming Languages, Computer Processing of Analog Data, and Computer Processing of Digital Data. The references…

Making Advanced Computer Science Topics More Accessible through Interactive Technologies

ERIC Educational Resources Information Center

Shao, Kun; Maher, Peter

2012-01-01

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

ASCR Workshop on Quantum Computing for Science

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

Aspuru-Guzik, Alan; Van Dam, Wim; Farhi, Edward

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

BIOCOMPUTATION: some history and prospects.

PubMed

Cull, Paul

2013-06-01

At first glance, biology and computer science are diametrically opposed sciences. Biology deals with carbon based life forms shaped by evolution and natural selection. Computer Science deals with electronic machines designed by engineers and guided by mathematical algorithms. In this brief paper, we review biologically inspired computing. We discuss several models of computation which have arisen from various biological studies. We show what these have in common, and conjecture how biology can still suggest answers and models for the next generation of computing problems. We discuss computation and argue that these biologically inspired models do not extend the theoretical limits on computation. We suggest that, in practice, biological models may give more succinct representations of various problems, and we mention a few cases in which biological models have proved useful. We also discuss the reciprocal impact of computer science on biology and cite a few significant contributions to biological science. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

A Case Study of the Introduction of Computer Science in NZ Schools

ERIC Educational Resources Information Center

Bell, Tim; Andreae, Peter; Robins, Anthony

2014-01-01

For many years computing in New Zealand schools was focused on teaching students how to use computers, and there was little opportunity for students to learn about programming and computer science as formal subjects. In this article we review a series of initiatives that occurred from 2007 to 2009 that led to programming and computer science being…

Exact solutions and conservation laws of the system of two-dimensional viscous Burgers equations

NASA Astrophysics Data System (ADS)

Abdulwahhab, Muhammad Alim

2016-10-01

Fluid turbulence is one of the phenomena that has been studied extensively for many decades. Due to its huge practical importance in fluid dynamics, various models have been developed to capture both the indispensable physical quality and the mathematical structure of turbulent fluid flow. Among the prominent equations used for gaining in-depth insight of fluid turbulence is the two-dimensional Burgers equations. Its solutions have been studied by researchers through various methods, most of which are numerical. Being a simplified form of the two-dimensional Navier-Stokes equations and its wide range of applicability in various fields of science and engineering, development of computationally efficient methods for the solution of the two-dimensional Burgers equations is still an active field of research. In this study, Lie symmetry method is used to perform detailed analysis on the system of two-dimensional Burgers equations. Optimal system of one-dimensional subalgebras up to conjugacy is derived and used to obtain distinct exact solutions. These solutions not only help in understanding the physical effects of the model problem but also, can serve as benchmarks for constructing algorithms and validation of numerical solutions of the system of Burgers equations under consideration at finite Reynolds numbers. Independent and nontrivial conserved vectors are also constructed.

Research in Applied Mathematics, Fluid Mechanics and Computer Science

NASA Technical Reports Server (NTRS)

1999-01-01

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

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

NASA Technical Reports Server (NTRS)

1995-01-01

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

Activities of the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1985-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April 1, 1985 through October 2, 1985 is summarized.

The medical science DMZ: a network design pattern for data-intensive medical science

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

Peisert, Sean; Dart, Eli; Barnett, William

We describe a detailed solution for maintaining high-capacity, data-intensive network flows (eg, 10, 40, 100 Gbps+) in a scientific, medical context while still adhering to security and privacy laws and regulations.High-end networking, packet-filter firewalls, network intrusion-detection systems.We describe a "Medical Science DMZ" concept as an option for secure, high-volume transport of large, sensitive datasets between research institutions over national research networks, and give 3 detailed descriptions of implemented Medical Science DMZs.The exponentially increasing amounts of "omics" data, high-quality imaging, and other rapidly growing clinical datasets have resulted in the rise of biomedical research "Big Data." The storage, analysis, and networkmore » resources required to process these data and integrate them into patient diagnoses and treatments have grown to scales that strain the capabilities of academic health centers. Some data are not generated locally and cannot be sustained locally, and shared data repositories such as those provided by the National Library of Medicine, the National Cancer Institute, and international partners such as the European Bioinformatics Institute are rapidly growing. The ability to store and compute using these data must therefore be addressed by a combination of local, national, and industry resources that exchange large datasets. Maintaining data-intensive flows that comply with the Health Insurance Portability and Accountability Act (HIPAA) and other regulations presents a new challenge for biomedical research. We describe a strategy that marries performance and security by borrowing from and redefining the concept of a Science DMZ, a framework that is used in physical sciences and engineering research to manage high-capacity data flows.By implementing a Medical Science DMZ architecture, biomedical researchers can leverage the scale provided by high-performance computer and cloud storage facilities and national high-speed research networks while preserving privacy and meeting regulatory requirements.« less

The medical science DMZ: a network design pattern for data-intensive medical science.

PubMed

Peisert, Sean; Dart, Eli; Barnett, William; Balas, Edward; Cuff, James; Grossman, Robert L; Berman, Ari; Shankar, Anurag; Tierney, Brian

2017-10-06

We describe a detailed solution for maintaining high-capacity, data-intensive network flows (eg, 10, 40, 100 Gbps+) in a scientific, medical context while still adhering to security and privacy laws and regulations. High-end networking, packet-filter firewalls, network intrusion-detection systems. We describe a "Medical Science DMZ" concept as an option for secure, high-volume transport of large, sensitive datasets between research institutions over national research networks, and give 3 detailed descriptions of implemented Medical Science DMZs. The exponentially increasing amounts of "omics" data, high-quality imaging, and other rapidly growing clinical datasets have resulted in the rise of biomedical research "Big Data." The storage, analysis, and network resources required to process these data and integrate them into patient diagnoses and treatments have grown to scales that strain the capabilities of academic health centers. Some data are not generated locally and cannot be sustained locally, and shared data repositories such as those provided by the National Library of Medicine, the National Cancer Institute, and international partners such as the European Bioinformatics Institute are rapidly growing. The ability to store and compute using these data must therefore be addressed by a combination of local, national, and industry resources that exchange large datasets. Maintaining data-intensive flows that comply with the Health Insurance Portability and Accountability Act (HIPAA) and other regulations presents a new challenge for biomedical research. We describe a strategy that marries performance and security by borrowing from and redefining the concept of a Science DMZ, a framework that is used in physical sciences and engineering research to manage high-capacity data flows. By implementing a Medical Science DMZ architecture, biomedical researchers can leverage the scale provided by high-performance computer and cloud storage facilities and national high-speed research networks while preserving privacy and meeting regulatory requirements. © The Author 2017. Published by Oxford University Press on behalf of the American Medical Informatics Association.

A Quantitative Model for Assessing Visual Simulation Software Architecture

DTIC Science & Technology

2011-09-01

Software Engineering Arnold Buss Research Associate Professor of MOVES LtCol Jeff Boleng, PhD Associate Professor of Computer Science U.S. Air Force Academy... science (operating and programming systems series). New York, NY, USA: Elsevier Science Ltd. Henry, S., & Kafura, D. (1984). The evaluation of software...Rudy Darken Professor of Computer Science Dissertation Supervisor Ted Lewis Professor of Computer Science Richard Riehle Professor of Practice

K-16 Computationally Rich Science Education: A Ten-Year Review of the "Journal of Science Education and Technology" (1998-2008)

ERIC Educational Resources Information Center

Wofford, Jennifer

2009-01-01

Computing is anticipated to have an increasingly expansive impact on the sciences overall, becoming the third, crucial component of a "golden triangle" that includes mathematics and experimental and theoretical science. However, even more true with computing than with math and science, we are not preparing our students for this new reality. It is…

Interactive Synthesis of Code Level Security Rules

DTIC Science & Technology

2017-04-01

Interactive Synthesis of Code-Level Security Rules A Thesis Presented by Leo St. Amour to The Department of Computer Science in partial fulfillment...of the requirements for the degree of Master of Science in Computer Science Northeastern University Boston, Massachusetts April 2017 DISTRIBUTION...Abstract of the Thesis Interactive Synthesis of Code-Level Security Rules by Leo St. Amour Master of Science in Computer Science Northeastern University

Approaching gender parity: Women in computer science at Afghanistan's Kabul University

NASA Astrophysics Data System (ADS)

Plane, Jandelyn

This study explores the representation of women in computer science at the tertiary level through data collected about undergraduate computer science education at Kabul University in Afghanistan. Previous studies have theorized reasons for underrepresentation of women in computer science, and while many of these reasons are indeed present in Afghanistan, they appear to hinder advancement to degree to a lesser extent. Women comprise at least 36% of each graduating class from KU's Computer Science Department; however, in 2007 women were 25% of the university population. In the US, women comprise over 50% of university populations while only graduating on average 25% women in undergraduate computer science programs. Representation of women in computer science in the US is 50% below the university rate, but at KU, it is 50% above the university rate. This mixed methods study of KU was conducted in the following three stages: setting up focus groups with women computer science students, distributing surveys to all students in the CS department, and conducting a series of 22 individual interviews with fourth year CS students. The analysis of the data collected and its comparison to literature on university/department retention in Science, Technology, Engineering and Mathematics gender representation and on women's education in underdeveloped Islamic countries illuminates KU's uncharacteristic representation of women in its Computer Science Department. The retention of women in STEM through the education pipeline has several characteristics in Afghanistan that differ from countries often studied in available literature. Few Afghan students have computers in their home and few have training beyond secretarial applications before considering studying CS at university. University students in Afghanistan are selected based on placement exams and are then assigned to an area of study, and financially supported throughout their academic career, resulting in a low attrition rate from the program. Gender and STEM literature identifies parental encouragement, stereotypes and employment perceptions as influential characteristics. Afghan women in computer science received significant parental encouragement even from parents with no computer background. They do not seem to be influenced by any negative "geek" stereotypes, but they do perceive limitations when considering employment after graduation.

Environmental Research Infrastructures providing shared solutions for science and society (ENVRIplus)

NASA Astrophysics Data System (ADS)

Kutsch, Werner Leo; Asmi, Ari; Laj, Paolo; Brus, Magdalena; Sorvari, Sanna

2016-04-01

ENVRIplus is a Horizon 2020 project bringing together Environmental and Earth System Research Infrastructures, projects and networks together with technical specialist partners to create a more coherent, interdisciplinary and interoperable cluster of Environmental Research Infrastructures (RIs) across Europe. The objective of ENVRIplus is to provide common solutions to shared challenges for these RIs in their efforts to deliver new services for science and society. To reach this overall goal, ENVRIplus brings together the current ESFRI roadmap environmental and associate fields RIs, leading I3 projects, key developing RI networks and specific technical specialist partners to build common synergic solutions for pressing issues in RI construction and implementation. ENVRIplus will be organized along 6 main objectives, further on called "Themes": 1) Improve the RI's abilities to observe the Earth System, particularly in developing and testing new sensor technologies, harmonizing observation methodologies and developing methods to overcome common problems associated with distributed remote observation networks; 2) Generate common solutions for shared information technology and data related challenges of the environmental RIs in data and service discovery and use, workflow documentation, data citations methodologies, service virtualization, and user characterization and interaction; 3) Develop harmonized policies for access (physical and virtual) for the environmental RIs, including access services for the multidisciplinary users; 4) Investigate the interactions between RIs and society: Find common approaches and methodologies how to assess the RIs' ability to answer the economical and societal challenges, develop ethics guidelines for RIs and investigate the possibility to enhance the use Citizen Science approaches in RI products and services; 5) Ensure the cross-fertilisation and knowledge transfer of new technologies, best practices, approaches and policies of the RIs by generating training material for RI personnel to use the new observational, technological and computational tools and facilitate inter-RI knowledge transfer via a staff exchange program; 6) Create RI communication and cooperation framework to coordinate activities of the environmental RIs towards common strategic development, improved user interaction and interdisciplinary cross-RI products and services. The produced solutions, services, systems and other project results are made available to all environmental research infrastructure initiatives.

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

ERIC Educational Resources Information Center

Wagner-Dobler, Roland

1997-01-01

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

A POSTERIORI ERROR ANALYSIS OF TWO STAGE COMPUTATION METHODS WITH APPLICATION TO EFFICIENT DISCRETIZATION AND THE PARAREAL ALGORITHM.

PubMed

Chaudhry, Jehanzeb Hameed; Estep, Don; Tavener, Simon; Carey, Varis; Sandelin, Jeff

2016-01-01

We consider numerical methods for initial value problems that employ a two stage approach consisting of solution on a relatively coarse discretization followed by solution on a relatively fine discretization. Examples include adaptive error control, parallel-in-time solution schemes, and efficient solution of adjoint problems for computing a posteriori error estimates. We describe a general formulation of two stage computations then perform a general a posteriori error analysis based on computable residuals and solution of an adjoint problem. The analysis accommodates various variations in the two stage computation and in formulation of the adjoint problems. We apply the analysis to compute "dual-weighted" a posteriori error estimates, to develop novel algorithms for efficient solution that take into account cancellation of error, and to the Parareal Algorithm. We test the various results using several numerical examples.

Cognitive computing and eScience in health and life science research: artificial intelligence and obesity intervention programs.

PubMed

Marshall, Thomas; Champagne-Langabeer, Tiffiany; Castelli, Darla; Hoelscher, Deanna

2017-12-01

To present research models based on artificial intelligence and discuss the concept of cognitive computing and eScience as disruptive factors in health and life science research methodologies. The paper identifies big data as a catalyst to innovation and the development of artificial intelligence, presents a framework for computer-supported human problem solving and describes a transformation of research support models. This framework includes traditional computer support; federated cognition using machine learning and cognitive agents to augment human intelligence; and a semi-autonomous/autonomous cognitive model, based on deep machine learning, which supports eScience. The paper provides a forward view of the impact of artificial intelligence on our human-computer support and research methods in health and life science research. By augmenting or amplifying human task performance with artificial intelligence, cognitive computing and eScience research models are discussed as novel and innovative systems for developing more effective adaptive obesity intervention programs.

78 FR 61870 - Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-04

... NATIONAL SCIENCE FOUNDATION Advisory Committee for Computer and Information Science and Engineering; Notice of Meeting In accordance with Federal Advisory Committee Act (Pub. L. 92-463, as amended... Committee for Computer and Information Science and Engineering (1115). Date/Time: Oct 31, 2013: 12:30 p.m...

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Activities of the Institute for Computer Applications in Science and Engineering (ICASE)

NASA Technical Reports Server (NTRS)

1985-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 1, 1984 through March 31, 1985 is summarized.

[Research Conducted at the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1997-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period 1 Oct. 1996 - 31 Mar. 1997.

Activities of the Institute for Computer Applications in Science and Engineering (ICASE)

NASA Technical Reports Server (NTRS)

1988-01-01

This report summarizes research conducted at the Institute for Computer Applications Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 2, 1987 through March 31, 1988.

[Activities of Institute for Computer Applications in Science and Engineering (ICASE)

NASA Technical Reports Server (NTRS)

1999-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics. fluid mechanics, and computer science during the period April 1, 1999 through September 30. 1999.

Practical Measurement of Complexity In Dynamic Systems

DTIC Science & Technology

2012-01-01

policies that produce highly complex behaviors , yet yield no benefit. 21Jason B. Clark and David R. Jacques / Procedia Computer Science 8 (2012) 14... Procedia Computer Science 8 (2012) 14 – 21 1877-0509 © 2012 Published by Elsevier B.V. doi:10.1016/j.procs.2012.01.008 Available online at...www.sciencedirect.com Procedia Computer Science Procedia Computer Science 00 (2012) 000–000 www.elsevier.com/locate/ procedia Available online at

The role of physicality in rich programming environments

NASA Astrophysics Data System (ADS)

Liu, Allison S.; Schunn, Christian D.; Flot, Jesse; Shoop, Robin

2013-12-01

Computer science proficiency continues to grow in importance, while the number of students entering computer science-related fields declines. Many rich programming environments have been created to motivate student interest and expertise in computer science. In the current study, we investigated whether a recently created environment, Robot Virtual Worlds (RVWs), can be used to teach computer science principles within a robotics context by examining its use in high-school classrooms. We also investigated whether the lack of physicality in these environments impacts student learning by comparing classrooms that used either virtual or physical robots for the RVW curriculum. Results suggest that the RVW environment leads to significant gains in computer science knowledge, that virtual robots lead to faster learning, and that physical robots may have some influence on algorithmic thinking. We discuss the implications of physicality in these programming environments for learning computer science.

Bilinear Forms and Soliton Solutions for the Reduced Maxwell-Bloch Equations with Variable Coefficients in Nonlinear Optics

NASA Astrophysics Data System (ADS)

Chai, Jun; Tian, Bo; Chai, Han-Peng

2018-02-01

Investigation in this paper is given to the reduced Maxwell-Bloch equations with variable coefficients, describing the propagation of the intense ultra-short optical pulses through an inhomogeneous two-level dielectric medium. We apply the Hirota method and symbolic computation to study such equations. With the help of the dependent variable transformations, we present the variable-coefficient-dependent bilinear forms. Then, we construct the one-, two- and N-soliton solutions in analytic forms for them. Supported by the National Natural Science Foundation of China under Grant Nos. 11772017, 11272023, 11471050, the Fund of State Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), China (IPOC: 2017ZZ05), and the Fundamental Research Funds for the Central Universities of China under Grant No. 2011BUPTYB02

Building devices from colloidal quantum dots.

PubMed

Kagan, Cherie R; Lifshitz, Efrat; Sargent, Edward H; Talapin, Dmitri V

2016-08-26

The continued growth of mobile and interactive computing requires devices manufactured with low-cost processes, compatible with large-area and flexible form factors, and with additional functionality. We review recent advances in the design of electronic and optoelectronic devices that use colloidal semiconductor quantum dots (QDs). The properties of materials assembled of QDs may be tailored not only by the atomic composition but also by the size, shape, and surface functionalization of the individual QDs and by the communication among these QDs. The chemical and physical properties of QD surfaces and the interfaces in QD devices are of particular importance, and these enable the solution-based fabrication of low-cost, large-area, flexible, and functional devices. We discuss challenges that must be addressed in the move to solution-processed functional optoelectronic nanomaterials. Copyright © 2016, American Association for the Advancement of Science.

Path Not Found: Disparities in Access to Computer Science Courses in California High Schools

ERIC Educational Resources Information Center

Martin, Alexis; McAlear, Frieda; Scott, Allison

2015-01-01

"Path Not Found: Disparities in Access to Computer Science Courses in California High Schools" exposes one of the foundational causes of underrepresentation in computing: disparities in access to computer science courses in California's public high schools. This report provides new, detailed data on these disparities by student body…

Developing Oral and Written Communication Skills in Undergraduate Computer Science and Information Systems Curriculum

ERIC Educational Resources Information Center

Kortsarts, Yana; Fischbach, Adam; Rufinus, Jeff; Utell, Janine M.; Yoon, Suk-Chung

2010-01-01

Developing and applying oral and written communication skills in the undergraduate computer science and computer information systems curriculum--one of the ABET accreditation requirements - is a very challenging and, at the same time, a rewarding task that provides various opportunities to enrich the undergraduate computer science and computer…

NDE in aerospace-requirements for science, sensors and sense.

PubMed

Heyman, J S

1989-01-01

The complexity of modern NDE (nondestructive evaluation) arises from four main factors: quantitative measurement, science, physical models for computational analysis, realistic interfacing with engineering decisions, and direct access to management priorities. Recent advances in the four factors of NDE are addressed. Physical models of acoustic propagation are presented that have led to the development of measurement technologies advancing the ability to assure that materials and structures will perform a design. In addition, a brief discussion is given of current research for future mission needs such as smart structures that sense their own health. Such advances permit projects to integrate design for inspection into their plans, bringing NDE into engineering and management priorities. The measurement focus is on ultrasonics with generous case examples. Problem solutions highlighted include critical stress in fasteners, residual stress in steel, NDE laminography, and solid rocket motor NDE.

Modelling human problem solving with data from an online game.

PubMed

Rach, Tim; Kirsch, Alexandra

2016-11-01

Since the beginning of cognitive science, researchers have tried to understand human strategies in order to develop efficient and adequate computational methods. In the domain of problem solving, the travelling salesperson problem has been used for the investigation and modelling of human solutions. We propose to extend this effort with an online game, in which instances of the travelling salesperson problem have to be solved in the context of a game experience. We report on our effort to design and run such a game, present the data contained in the resulting openly available data set and provide an outlook on the use of games in general for cognitive science research. In addition, we present three geometrical models mapping the starting point preferences in the problems presented in the game as the result of an evaluation of the data set.

NDE in aerospace - Requirements for science, sensors and sense

NASA Technical Reports Server (NTRS)

Heyman, Joseph S.

1989-01-01

The complexity of modern nondestructive evaluation (NDE) arises from four main factors: quantitative measurement science, physical models for computational analysis, realistic interfacing with engineering decisions, and direct access to management priorities. Recent advances in the four factors of NDE are addressed. Physical models of acoustic propagation are presented that have led to the development of measurement technologies advancing the ability to assure that materials and structures will perform as designed. In addition, a brief discussion is given of current research for future mission needs such as smart structures that sense their own health. Such advances permit projects to integrate design for inspection into their plans, bringing NDE into engineering and management priorities. The measurement focus is on ultrasonics with generous case examples. Problem solutions highlighted include critical stress in fasteners, residual stress in steel, NDE laminography, and solid rocket motor NDE.

EOS MLS Science Data Processing System: A Description of Architecture and Capabilities

NASA Technical Reports Server (NTRS)

Cuddy, David T.; Echeverri, Mark D.; Wagner, Paul A.; Hanzel, Audrey T.; Fuller, Ryan A.

2006-01-01

This paper describes the architecture and capabilities of the Science Data Processing System (SDPS) for the EOS MLS. The SDPS consists of two major components--the Science Computing Facility and the Science Investigator-led Processing System. The Science Computing Facility provides the facilities for the EOS MLS Science Team to perform the functions of scientific algorithm development, processing software development, quality control of data products, and scientific analyses. The Science Investigator-led Processing System processes and reprocesses the science data for the entire mission and delivers the data products to the Science Computing Facility and to the Goddard Space Flight Center Earth Science Distributed Active Archive Center, which archives and distributes the standard science products.

Health Information System in a Cloud Computing Context.

PubMed

Sadoughi, Farahnaz; Erfannia, Leila

2017-01-01

Healthcare as a worldwide industry is experiencing a period of growth based on health information technology. The capabilities of cloud systems make it as an option to develop eHealth goals. The main objectives of the present study was to evaluate the advantages and limitations of health information systems implementation in a cloud-computing context that was conducted as a systematic review in 2016. Science direct, Scopus, Web of science, IEEE, PubMed and Google scholar were searched according study criteria. Among 308 articles initially found, 21 articles were entered in the final analysis. All the studies had considered cloud computing as a positive tool to help advance health technology, but none had insisted too much on its limitations and threats. Electronic health record systems have been mostly studied in the fields of implementation, designing, and presentation of models and prototypes. According to this research, the main advantages of cloud-based health information systems could be categorized into the following groups: economic benefits and advantages of information management. The main limitations of the implementation of cloud-based health information systems could be categorized into the 4 groups of security, legal, technical, and human restrictions. Compared to earlier studies, the present research had the advantage of dealing with the issue of health information systems in a cloud platform. The high frequency of studies conducted on the implementation of cloud-based health information systems revealed health industry interest in the application of this technology. Security was a subject discussed in most studies due to health information sensitivity. In this investigation, some mechanisms and solutions were discussed concerning the mentioned systems, which would provide a suitable area for future scientific research on this issue. The limitations and solutions discussed in this systematic study would help healthcare managers and decision-makers take better and more efficient advantages of this technology and make better planning to adopt cloud-based health information systems.

A new monthly gravity field model based on GRACE observations computed by the modified dynamic approach

NASA Astrophysics Data System (ADS)

Zhou, H.; Luo, Z.; Li, Q.; Zhong, B.

2016-12-01

The monthly gravity field model can be used to compute the information about the mass variation within the system Earth, i.e., the relationship between mass variation in the oceans, land hydrology, and ice sheets. For more than ten years, GRACE has provided valuable information for recovering monthly gravity field model. In this study, a new time series of GRACE monthly solution, which is truncated to degree and order 60, is computed by the modified dynamic approach. Compared with the traditional dynamic approach, the major difference of our modified approach is the way to process the nuisance parameters. This type of parameters is mainly used to absorb low-frequency errors in KBRR data. One way is to remove the nuisance parameters before estimating the geo-potential coefficients, called Pure Predetermined Strategy (PPS). The other way is to determine the nuisance parameters and geo-potential coefficients simultaneously, called Pure Simultaneous Strategy (PSS). It is convenient to detect the gross error by PPS, while there is also obvious signal loss compared with the solutions derived from PSS. After comparing the difference of practical calculation formulas between PPS and PSS, we create the Filter Predetermine Strategy (FPS), which can combine the advantages of PPS and PSS efficiently. With FPS, a new monthly gravity field model entitled HUST-Grace2016s is developed. The comparisons of geoid degree powers and mass change signals in the Amazon basin, the Greenland and the Antarctic demonstrate that our model is comparable with the other published models, e.g., the CSR RL05, JPL RL05 and GFZ RL05 models. Acknowledgements: This work is supported by China Postdoctoral Science Foundation (Grant No.2016M592337), the National Natural Science Foundation of China (Grant Nos. 41131067, 41504014), the Open Research Fund Program of the State Key Laboratory of Geodesy and Earth's Dynamics (Grant No. SKLGED2015-1-3-E).

Women in computer science: An interpretative phenomenological analysis exploring common factors contributing to women's selection and persistence in computer science as an academic major

NASA Astrophysics Data System (ADS)

Thackeray, Lynn Roy

The purpose of this study is to understand the meaning that women make of the social and cultural factors that influence their reasons for entering and remaining in study of computer science. The twenty-first century presents many new challenges in career development and workforce choices for both men and women. Information technology has become the driving force behind many areas of the economy. As this trend continues, it has become essential that U.S. citizens need to pursue a career in technologies, including the computing sciences. Although computer science is a very lucrative profession, many Americans, especially women, are not choosing it as a profession. Recent studies have shown no significant differences in math, technical and science competency between men and women. Therefore, other factors, such as social, cultural, and environmental influences seem to affect women's decisions in choosing an area of study and career choices. A phenomenological method of qualitative research was used in this study, based on interviews of seven female students who are currently enrolled in a post-secondary computer science program. Their narratives provided meaning into the social and cultural environments that contribute to their persistence in their technical studies, as well as identifying barriers and challenges that are faced by female students who choose to study computer science. It is hoped that the data collected from this study may provide recommendations for the recruiting, retention and support for women in computer science departments of U.S. colleges and universities, and thereby increase the numbers of women computer scientists in industry. Keywords: gender access, self-efficacy, culture, stereotypes, computer education, diversity.

The SCEC/USGS dynamic earthquake rupture code verification exercise

USGS Publications Warehouse

Harris, R.A.; Barall, M.; Archuleta, R.; Dunham, E.; Aagaard, Brad T.; Ampuero, J.-P.; Bhat, H.; Cruz-Atienza, Victor M.; Dalguer, L.; Dawson, P.; Day, S.; Duan, B.; Ely, G.; Kaneko, Y.; Kase, Y.; Lapusta, N.; Liu, Yajing; Ma, S.; Oglesby, D.; Olsen, K.; Pitarka, A.; Song, S.; Templeton, E.

2009-01-01

Numerical simulations of earthquake rupture dynamics are now common, yet it has been difficult to test the validity of these simulations because there have been few field observations and no analytic solutions with which to compare the results. This paper describes the Southern California Earthquake Center/U.S. Geological Survey (SCEC/USGS) Dynamic Earthquake Rupture Code Verification Exercise, where codes that simulate spontaneous rupture dynamics in three dimensions are evaluated and the results produced by these codes are compared using Web-based tools. This is the first time that a broad and rigorous examination of numerous spontaneous rupture codes has been performed—a significant advance in this science. The automated process developed to attain this achievement provides for a future where testing of codes is easily accomplished.Scientists who use computer simulations to understand earthquakes utilize a range of techniques. Most of these assume that earthquakes are caused by slip at depth on faults in the Earth, but hereafter the strategies vary. Among the methods used in earthquake mechanics studies are kinematic approaches and dynamic approaches.The kinematic approach uses a computer code that prescribes the spatial and temporal evolution of slip on the causative fault (or faults). These types of simulations are very helpful, especially since they can be used in seismic data inversions to relate the ground motions recorded in the field to slip on the fault(s) at depth. However, these kinematic solutions generally provide no insight into the physics driving the fault slip or information about why the involved fault(s) slipped that much (or that little). In other words, these kinematic solutions may lack information about the physical dynamics of earthquake rupture that will be most helpful in forecasting future events.To help address this issue, some researchers use computer codes to numerically simulate earthquakes and construct dynamic, spontaneous rupture (hereafter called “spontaneous rupture”) solutions. For these types of numerical simulations, rather than prescribing the slip function at each location on the fault(s), just the friction constitutive properties and initial stress conditions are prescribed. The subsequent stresses and fault slip spontaneously evolve over time as part of the elasto-dynamic solution. Therefore, spontaneous rupture computer simulations of earthquakes allow us to include everything that we know, or think that we know, about earthquake dynamics and to test these ideas against earthquake observations.

Parameter estimation uncertainty: Comparing apples and apples?

NASA Astrophysics Data System (ADS)

Hart, D.; Yoon, H.; McKenna, S. A.

2012-12-01

Given a highly parameterized ground water model in which the conceptual model of the heterogeneity is stochastic, an ensemble of inverse calibrations from multiple starting points (MSP) provides an ensemble of calibrated parameters and follow-on transport predictions. However, the multiple calibrations are computationally expensive. Parameter estimation uncertainty can also be modeled by decomposing the parameterization into a solution space and a null space. From a single calibration (single starting point) a single set of parameters defining the solution space can be extracted. The solution space is held constant while Monte Carlo sampling of the parameter set covering the null space creates an ensemble of the null space parameter set. A recently developed null-space Monte Carlo (NSMC) method combines the calibration solution space parameters with the ensemble of null space parameters, creating sets of calibration-constrained parameters for input to the follow-on transport predictions. Here, we examine the consistency between probabilistic ensembles of parameter estimates and predictions using the MSP calibration and the NSMC approaches. A highly parameterized model of the Culebra dolomite previously developed for the WIPP project in New Mexico is used as the test case. A total of 100 estimated fields are retained from the MSP approach and the ensemble of results defining the model fit to the data, the reproduction of the variogram model and prediction of an advective travel time are compared to the same results obtained using NSMC. We demonstrate that the NSMC fields based on a single calibration model can be significantly constrained by the calibrated solution space and the resulting distribution of advective travel times is biased toward the travel time from the single calibrated field. To overcome this, newly proposed strategies to employ a multiple calibration-constrained NSMC approach (M-NSMC) are evaluated. Comparison of the M-NSMC and MSP methods suggests that M-NSMC can provide a computationally efficient and practical solution for predictive uncertainty analysis in highly nonlinear and complex subsurface flow and transport models. This material is based upon work supported as part of the Center for Frontiers of Subsurface Energy Security, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001114. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

77 FR 38630 - Open Internet Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-28

... Computer Science and Co-Founder of the Berkman Center for Internet and Society, Harvard University, is... of Technology Computer Science and Artificial Intelligence Laboratory, is appointed vice-chairperson... Jennifer Rexford, Professor of Computer Science, Princeton University Dennis Roberson, Vice Provost...

Research in progress at the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1987-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April 1, 1987 through October 1, 1987.

A parallel-processing approach to computing for the geographic sciences; applications and systems enhancements

USGS Publications Warehouse

Crane, Michael; Steinwand, Dan; Beckmann, Tim; Krpan, Greg; Liu, Shu-Guang; Nichols, Erin; Haga, Jim; Maddox, Brian; Bilderback, Chris; Feller, Mark; Homer, George

2001-01-01

The overarching goal of this project is to build a spatially distributed infrastructure for information science research by forming a team of information science researchers and providing them with similar hardware and software tools to perform collaborative research. Four geographically distributed Centers of the U.S. Geological Survey (USGS) are developing their own clusters of low-cost, personal computers into parallel computing environments that provide a costeffective way for the USGS to increase participation in the high-performance computing community. Referred to as Beowulf clusters, these hybrid systems provide the robust computing power required for conducting information science research into parallel computing systems and applications.

BusyBee Web: metagenomic data analysis by bootstrapped supervised binning and annotation

PubMed Central

Kiefer, Christina; Fehlmann, Tobias; Backes, Christina

2017-01-01

Abstract Metagenomics-based studies of mixed microbial communities are impacting biotechnology, life sciences and medicine. Computational binning of metagenomic data is a powerful approach for the culture-independent recovery of population-resolved genomic sequences, i.e. from individual or closely related, constituent microorganisms. Existing binning solutions often require a priori characterized reference genomes and/or dedicated compute resources. Extending currently available reference-independent binning tools, we developed the BusyBee Web server for the automated deconvolution of metagenomic data into population-level genomic bins using assembled contigs (Illumina) or long reads (Pacific Biosciences, Oxford Nanopore Technologies). A reversible compression step as well as bootstrapped supervised binning enable quick turnaround times. The binning results are represented in interactive 2D scatterplots. Moreover, bin quality estimates, taxonomic annotations and annotations of antibiotic resistance genes are computed and visualized. Ground truth-based benchmarks of BusyBee Web demonstrate comparably high performance to state-of-the-art binning solutions for assembled contigs and markedly improved performance for long reads (median F1 scores: 70.02–95.21%). Furthermore, the applicability to real-world metagenomic datasets is shown. In conclusion, our reference-independent approach automatically bins assembled contigs or long reads, exhibits high sensitivity and precision, enables intuitive inspection of the results, and only requires FASTA-formatted input. The web-based application is freely accessible at: https://ccb-microbe.cs.uni-saarland.de/busybee. PMID:28472498

Applying ``intelligent`` materials for materials education: The Labless Lab{trademark}

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

Andrade, J.D.; Scheer, R.

1994-12-31

A very large number of science and engineering courses taught in colleges and universities today do not involve laboratories. Although good instructors incorporate class demonstrations, hands on homework, and various teaching aids, including computer simulations, the fact is that students in such courses often accept key concepts and experimental results without discovering them for themselves. The only partial solution to this problem has been increasing use of class demonstrations and computer simulations. The authors feel strongly that many complex concepts can be observed and assimilated through experimentation with properly designed materials. They propose the development of materials and specimens designedmore » specifically for education purposes. Intelligent and communicative materials are ideal for this purpose. Specimens which respond in an observable fashion to new environments and situations provided by the students/experimenter provide a far more effective materials science and engineering experience than readouts and data generated by complex and expensive machines, particularly in an introductory course. Modern materials can be designed to literally communicate with the observer. The authors embarked on a project to develop a series of Labless Labs{trademark} utilizing various degrees and levels of intelligence in materials. It is expected that such Labless Labs{trademark} would be complementary to textbooks and computer simulations and to be used to provide a reality for students in courses and other learning situations where access to a laboratory is non-existent or limited.« less

Teaching and Learning Methodologies Supported by ICT Applied in Computer Science

ERIC Educational Resources Information Center

Capacho, Jose

2016-01-01

The main objective of this paper is to show a set of new methodologies applied in the teaching of Computer Science using ICT. The methodologies are framed in the conceptual basis of the following sciences: Psychology, Education and Computer Science. The theoretical framework of the research is supported by Behavioral Theory, Gestalt Theory.…

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

Federal Register 2010, 2011, 2012, 2013, 2014

2011-10-03

... Engineering; Notice of Meeting In accordance with the Federal Advisory Committee Act (Pub. L. 92- 463, as... Computer and Information Science and Engineering (1115). Date and Time: November 1, 2011 from 12 p.m.-5:30... Computer and Information Science and Engineering, National Science Foundation, 4201 Wilson Blvd., Suite...

Computer Science in High School Graduation Requirements. ECS Education Trends (Updated)

ERIC Educational Resources Information Center

Zinth, Jennifer

2016-01-01

Allowing high school students to fulfill a math or science high school graduation requirement via a computer science credit may encourage more student to pursue computer science coursework. This Education Trends report is an update to the original report released in April 2015 and explores state policies that allow or require districts to apply…

Characteristics of the Navy Laboratory Warfare Center Technical Workforce

DTIC Science & Technology

2013-09-29

Mathematics and Information Science (M&IS) Actuarial Science 1510 Computer Science 1550 Gen. Math & Statistics 1501 Mathematics 1520 Operations...Admin. Network Systems & Data Communication Analysts Actuaries Mathematicians Operations Research Analyst Statisticians Social Science (SS...workforce was sub-divided into six broad occupational groups: Life Science , Physical Science , Engineering, Mathematics, Computer Science and Information

Exploiting OAuth 2.0: from User Delegation for OGC Services to a Generic Federation-as-a-Service Solution for Federated Identity Management

NASA Astrophysics Data System (ADS)

Kershaw, Philip; Jensen, Jens; Stephens, Ag; van Engen, Willem

2013-04-01

We explore an application of OAuth to enable user delegation for OGC-based services and the evolution of this solution to form part of a wider Federation-as-a-Service offering for federated identity management. OAuth has established itself in the commercial sector as a means for users to delegate access to secured resources under their control to third parties. It has also found its way into the academic and research domains as a solution for user delegation. Notable examples including the CILogon project for Teragrid in the US, and also, closer to the Earth Sciences, as part of the OGC Web Services, Phase 6 Testbed. Both are examples of OAuth 1.0 implementations. Version 2.0 has seen significant changes to this original specification which have not been without controversy but it has arguably provided a greater degree of flexibility in how it can be applied and the use cases that it can address. At CEDA (Centre for Environmental Data Archival, STFC), a Python implementation of OAuth 2.0 was made to explore these capabilities with a focus on providing a solution for user delegation for data access, processing and visualisation services for the Earth Observation and Climate sciences domains. The initial goal was to provide a means of delegating short-lived user credentials to trusted services along the same lines as the established approach of Proxy certificates widely used in Grid computing. For the OGC and other HTTP-based services employed by CEDA, OAuth makes a natural fit for this role, integrating with minimal impact on existing interfaces. Working implementations have been made for CEDA's COWS Web Processing Service and Web Map Service. Packaging the software and making it available in Open Source repositories together with the generic nature of the solution have made it readily exploitable in other application domains. At the Max Planck Institute for Psycholinguistics (Nijmegen, The Netherlands), the software will be used to integrate some tools in the CLARIN infrastructure*. Enhancements have been fedback to the package through this activity. Collaboration with STFC's Scientific Computing department has also seen this solution expand and evolve to support a more demanding set of use cases required to meet the needs for Contrail, an EU Framework 7 project. The goal of Contrail is to develop an Open Source solution for federating resources from multiple Cloud providers. Bringing the solution developed with OAuth together with technologies such as SAML and OpenID it has been possible to develop a generic suite of services to support federated access and identity management, a Federation-as-a-Service package. This is showing promise with trials with the EUDAT project. A deployment of the Contrail software is also planned for CEMS (the facility for Climate and Environmental Monitoring from Space), a new joint academic-industry led facility based at the STFC Harwell site providing access to large-volume Earth Observation and Climate datasets through a Cloud-based service model. * This work is part of the programme of BiG Grid, the Dutch e-Science Grid, which is financially supported by the Netherlands Organisation for Scientific Research, NWO.

Cloud hosting of the IPython Notebook to Provide Collaborative Research Environments for Big Data Analysis

NASA Astrophysics Data System (ADS)

Kershaw, Philip; Lawrence, Bryan; Gomez-Dans, Jose; Holt, John

2015-04-01

We explore how the popular IPython Notebook computing system can be hosted on a cloud platform to provide a flexible virtual research hosting environment for Earth Observation data processing and analysis and how this approach can be expanded more broadly into a generic SaaS (Software as a Service) offering for the environmental sciences. OPTIRAD (OPTImisation environment for joint retrieval of multi-sensor RADiances) is a project funded by the European Space Agency to develop a collaborative research environment for Data Assimilation of Earth Observation products for land surface applications. Data Assimilation provides a powerful means to combine multiple sources of data and derive new products for this application domain. To be most effective, it requires close collaboration between specialists in this field, land surface modellers and end users of data generated. A goal of OPTIRAD then is to develop a collaborative research environment to engender shared working. Another significant challenge is that of data volume and complexity. Study of land surface requires high spatial and temporal resolutions, a relatively large number of variables and the application of algorithms which are computationally expensive. These problems can be addressed with the application of parallel processing techniques on specialist compute clusters. However, scientific users are often deterred by the time investment required to port their codes to these environments. Even when successfully achieved, it may be difficult to readily change or update. This runs counter to the scientific process of continuous experimentation, analysis and validation. The IPython Notebook provides users with a web-based interface to multiple interactive shells for the Python programming language. Code, documentation and graphical content can be saved and shared making it directly applicable to OPTIRAD's requirements for a shared working environment. Given the web interface it can be readily made into a hosted service with Wakari and Microsoft Azure being notable examples. Cloud-hosting of the Notebook allows the same familiar Python interface to be retained but backed by Cloud Computing attributes of scalability, elasticity and resource pooling. This combination makes it a powerful solution to address the needs of long-tail science users of Big Data: an intuitive interactive interface with which to access powerful compute resources. IPython Notebook can be hosted as a single user desktop environment but the recent development by the IPython community of JupyterHub enables it to be run as a multi-user hosting environment. In addition, IPython.parallel allows the exposition of parallel compute infrastructure through a Python interface. Applying these technologies in combination, a collaborative research environment has been developed for OPTIRAD on the UK JASMIN/CEMS facility's private cloud (http://jasmin.ac.uk). Based on this experience, a generic virtualised solution is under development suitable for use by the wider environmental science community - on both JASMIN and portable to third party cloud platforms.

A Review of Computer Science Resources for Learning and Teaching with K-12 Computing Curricula: An Australian Case Study

ERIC Educational Resources Information Center

Falkner, Katrina; Vivian, Rebecca

2015-01-01

To support teachers to implement Computer Science curricula into classrooms from the very first year of school, teachers, schools and organisations seek quality curriculum resources to support implementation and teacher professional development. Until now, many Computer Science resources and outreach initiatives have targeted K-12 school-age…

Technology, Pedagogy, and Epistemology: Opportunities and Challenges of Using Computer Modeling and Simulation Tools in Elementary Science Methods

ERIC Educational Resources Information Center

Schwarz, Christina V.; Meyer, Jason; Sharma, Ajay

2007-01-01

This study infused computer modeling and simulation tools in a 1-semester undergraduate elementary science methods course to advance preservice teachers' understandings of computer software use in science teaching and to help them learn important aspects of pedagogy and epistemology. Preservice teachers used computer modeling and simulation tools…

Prospective Students' Reactions to the Presentation of the Computer Science Major

ERIC Educational Resources Information Center

Weaver, Daniel Scott

2010-01-01

The number of students enrolling in Computer Science in colleges and Universities has declined since its peak in the early 2000s. Some claim contributing factors that intimate that prospective students fear the lack of employment opportunities if they study computing in college. However, the lack of understanding of what Computer Science is and…

Participatory Design of Human-Centered Cyberinfrastructure (Invited)

NASA Astrophysics Data System (ADS)

Pennington, D. D.; Gates, A. Q.

2010-12-01

Cyberinfrastructure, by definition, is about people sharing resources to achieve outcomes that cannot be reached independently. CI depends not just on creating discoverable resources, or tools that allow those resources to be processed, integrated, and visualized -- but on human activation of flows of information across those resources. CI must be centered on human activities. Yet for those CI projects that are directed towards observational science, there are few models for organizing collaborative research in ways that align individual research interests into a collective vision of CI-enabled science. Given that the emerging technologies are themselves expected to change the way science is conducted, it is not simply a matter of conducting requirements analysis on how scientists currently work, or building consensus among the scientists on what is needed. Developing effective CI depends on generating a new, creative vision of problem solving within a community based on computational concepts that are, in some cases, still very abstract and theoretical. The computer science theory may (or may not) be well formalized, but the potential for impact on any particular domain is typically ill-defined. In this presentation we will describe approaches being developed and tested at the CyberShARE Center of Excellence at University of Texas in El Paso for ill-structured problem solving within cross-disciplinary teams of scientists and computer scientists working on data intensive environmental and geoscience. These approaches deal with the challenges associated with sharing and integrating knowledge across disciplines; the challenges of developing effective teamwork skills in a culture that favors independent effort; and the challenges of evolving shared, focused research goals from ill-structured, vague starting points - all issues that must be confronted by every interdisciplinary CI project. We will introduce visual and semantic-based tools that can enable the collaborative research design process and illustrate their application in designing and developing useful end-to-end data solutions for scientists. Lastly, we will outline areas of future investigation within CyberShARE that we believe have the potential for high impact.

PREPARING FOR EXASCALE: ORNL Leadership Computing Application Requirements and Strategy

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

Joubert, Wayne; Kothe, Douglas B; Nam, Hai Ah

2009-12-01

In 2009 the Oak Ridge Leadership Computing Facility (OLCF), a U.S. Department of Energy (DOE) facility at the Oak Ridge National Laboratory (ORNL) National Center for Computational Sciences (NCCS), elicited petascale computational science requirements from leading computational scientists in the international science community. This effort targeted science teams whose projects received large computer allocation awards on OLCF systems. A clear finding of this process was that in order to reach their science goals over the next several years, multiple projects will require computational resources in excess of an order of magnitude more powerful than those currently available. Additionally, for themore » longer term, next-generation science will require computing platforms of exascale capability in order to reach DOE science objectives over the next decade. It is generally recognized that achieving exascale in the proposed time frame will require disruptive changes in computer hardware and software. Processor hardware will become necessarily heterogeneous and will include accelerator technologies. Software must undergo the concomitant changes needed to extract the available performance from this heterogeneous hardware. This disruption portends to be substantial, not unlike the change to the message passing paradigm in the computational science community over 20 years ago. Since technological disruptions take time to assimilate, we must aggressively embark on this course of change now, to insure that science applications and their underlying programming models are mature and ready when exascale computing arrives. This includes initiation of application readiness efforts to adapt existing codes to heterogeneous architectures, support of relevant software tools, and procurement of next-generation hardware testbeds for porting and testing codes. The 2009 OLCF requirements process identified numerous actions necessary to meet this challenge: (1) Hardware capabilities must be advanced on multiple fronts, including peak flops, node memory capacity, interconnect latency, interconnect bandwidth, and memory bandwidth. (2) Effective parallel programming interfaces must be developed to exploit the power of emerging hardware. (3) Science application teams must now begin to adapt and reformulate application codes to the new hardware and software, typified by hierarchical and disparate layers of compute, memory and concurrency. (4) Algorithm research must be realigned to exploit this hierarchy. (5) When possible, mathematical libraries must be used to encapsulate the required operations in an efficient and useful way. (6) Software tools must be developed to make the new hardware more usable. (7) Science application software must be improved to cope with the increasing complexity of computing systems. (8) Data management efforts must be readied for the larger quantities of data generated by larger, more accurate science models. Requirements elicitation, analysis, validation, and management comprise a difficult and inexact process, particularly in periods of technological change. Nonetheless, the OLCF requirements modeling process is becoming increasingly quantitative and actionable, as the process becomes more developed and mature, and the process this year has identified clear and concrete steps to be taken. This report discloses (1) the fundamental science case driving the need for the next generation of computer hardware, (2) application usage trends that illustrate the science need, (3) application performance characteristics that drive the need for increased hardware capabilities, (4) resource and process requirements that make the development and deployment of science applications on next-generation hardware successful, and (5) summary recommendations for the required next steps within the computer and computational science communities.« less

Pre-Hardware Optimization of Spacecraft Image Processing Software Algorithms and Hardware Implementation

NASA Technical Reports Server (NTRS)

Kizhner, Semion; Flatley, Thomas P.; Hestnes, Phyllis; Jentoft-Nilsen, Marit; Petrick, David J.; Day, John H. (Technical Monitor)

2001-01-01

Spacecraft telemetry rates have steadily increased over the last decade presenting a problem for real-time processing by ground facilities. This paper proposes a solution to a related problem for the Geostationary Operational Environmental Spacecraft (GOES-8) image processing application. Although large super-computer facilities are the obvious heritage solution, they are very costly, making it imperative to seek a feasible alternative engineering solution at a fraction of the cost. The solution is based on a Personal Computer (PC) platform and synergy of optimized software algorithms and re-configurable computing hardware technologies, such as Field Programmable Gate Arrays (FPGA) and Digital Signal Processing (DSP). It has been shown in [1] and [2] that this configuration can provide superior inexpensive performance for a chosen application on the ground station or on-board a spacecraft. However, since this technology is still maturing, intensive pre-hardware steps are necessary to achieve the benefits of hardware implementation. This paper describes these steps for the GOES-8 application, a software project developed using Interactive Data Language (IDL) (Trademark of Research Systems, Inc.) on a Workstation/UNIX platform. The solution involves converting the application to a PC/Windows/RC platform, selected mainly by the availability of low cost, adaptable high-speed RC hardware. In order for the hybrid system to run, the IDL software was modified to account for platform differences. It was interesting to examine the gains and losses in performance on the new platform, as well as unexpected observations before implementing hardware. After substantial pre-hardware optimization steps, the necessity of hardware implementation for bottleneck code in the PC environment became evident and solvable beginning with the methodology described in [1], [2], and implementing a novel methodology for this specific application [6]. The PC-RC interface bandwidth problem for the class of applications with moderate input-output data rates but large intermediate multi-thread data streams has been addressed and mitigated. This opens a new class of satellite image processing applications for bottleneck problems solution using RC technologies. The issue of a science algorithm level of abstraction necessary for RC hardware implementation is also described. Selected Matlab functions already implemented in hardware were investigated for their direct applicability to the GOES-8 application with the intent to create a library of Matlab and IDL RC functions for ongoing work. A complete class of spacecraft image processing applications using embedded re-configurable computing technology to meet real-time requirements, including performance results and comparison with the existing system, is described in this paper.

A network-based distributed, media-rich computing and information environment

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

Phillips, R.L.

1995-12-31

Sunrise is a Los Alamos National Laboratory (LANL) project started in October 1993. It is intended to be a prototype National Information Infrastructure development project. A main focus of Sunrise is to tie together enabling technologies (networking, object-oriented distributed computing, graphical interfaces, security, multi-media technologies, and data-mining technologies) with several specific applications. A diverse set of application areas was chosen to ensure that the solutions developed in the project are as generic as possible. Some of the application areas are materials modeling, medical records and image analysis, transportation simulations, and K-12 education. This paper provides a description of Sunrise andmore » a view of the architecture and objectives of this evolving project. The primary objectives of Sunrise are three-fold: (1) To develop common information-enabling tools for advanced scientific research and its applications to industry; (2) To enhance the capabilities of important research programs at the Laboratory; (3) To define a new way of collaboration between computer science and industrially-relevant research.« less

Asteroids@Home

NASA Astrophysics Data System (ADS)

Durech, Josef; Hanus, J.; Vanco, R.

2012-10-01

We present a new project called Asteroids@home (http://asteroidsathome.net/boinc). It is a volunteer-computing project that uses an open-source BOINC (Berkeley Open Infrastructure for Network Computing) software to distribute tasks to volunteers, who provide their computing resources. The project was created at the Astronomical Institute, Charles University in Prague, in cooperation with the Czech National Team. The scientific aim of the project is to solve a time-consuming inverse problem of shape reconstruction of asteroids from sparse-in-time photometry. The time-demanding nature of the problem comes from the fact that with sparse-in-time photometry the rotation period of an asteroid is not apriori known and a huge parameter space must be densely scanned for the best solution. The nature of the problem makes it an ideal task to be solved by distributed computing - the period parameter space can be divided into small bins that can be scanned separately and then joined together to give the globally best solution. In the framework of the the project, we process asteroid photometric data from surveys together with asteroid lightcurves and we derive asteroid shapes and spin states. The algorithm is based on the lightcurve inversion method developed by Kaasalainen et al. (Icarus 153, 37, 2001). The enormous potential of distributed computing will enable us to effectively process also the data from future surveys (Large Synoptic Survey Telescope, Gaia mission, etc.). We also plan to process data of a synthetic asteroid population to reveal biases of the method. In our presentation, we will describe the project, show the first results (new models of asteroids), and discuss the possibilities of its further development. This work has been supported by the grant GACR P209/10/0537 of the Czech Science Foundation and by the Research Program MSM0021620860 of the Ministry of Education of the Czech Republic.

A survey of spacecraft thermal design solutions

NASA Technical Reports Server (NTRS)

Humphries, R.; Wegrich, R.; Pierce, E.; Patterson, W.

1991-01-01

A review of activities at the NASA/Marshall Space Flight Center in the heat transfer and thermodynamics disciplines as well as attendant fluid mechanics, transport phenomena, and computer science applications is presented. Attention is focused on recent activities including the Hubble Space Telescope, and large space instruments, particularly telescope thermal control systems such as those flown aboard Spacelab 2 and the Astro missions. Emphasis is placed on defining the thermal control features, unique design schemes, and performance of selected programs. Results obtained both by ground testing and analytical means, as well as flight and postflight data are presented.

Earth resources-regional transfer activity contracts review

NASA Technical Reports Server (NTRS)

Bensko, J., Jr.; Daniels, J. L.; Downs, S. W., Jr.; Jones, N. L.; Morton, R. R.; Paludan, C. T.

1977-01-01

A regional transfer activity contracts review held by the Earth Resources Office was summarized. Contracts in the earth resources field primarily directed toward applications of satellite data and technology in solution of state and regional problems were reviewed. A summary of the progress of each contract was given in order to share experiences of researchers across a seven state region. The region included Missouri, Kentucky, Tennessee, Mississippi, Alabama, Georgia, and North Carolina. Research in several earth science disciplines included forestry, limnology, water resources, land use, geology, and mathematical modeling. The use of computers for establishment of information retrieval systems was also emphasized.

Finding the probability of infection in an SIR network is NP-Hard

PubMed Central

Shapiro, Michael; Delgado-Eckert, Edgar

2012-01-01

It is the purpose of this article to review results that have long been known to communications network engineers and have direct application to epidemiology on networks. A common approach in epidemiology is to study the transmission of a disease in a population where each individual is initially susceptible (S), may become infective (I) and then removed or recovered (R) and plays no further epidemiological role. Much of the recent work gives explicit consideration to the network of social interactions or disease-transmitting contacts and attendant probability of transmission for each interacting pair. The state of such a network is an assignment of the values {S, I, R} to its members. Given such a network, an initial state and a particular susceptible individual, we would like to compute their probability of becoming infected in the course of an epidemic. It turns out that this and related problems are NP-hard. In particular, it belongs in a class of problems for which no efficient algorithms for their solution are known. Moreover, finding an efficient algorithm for the solution of any problem in this class would entail a major breakthrough in theoretical computer science. PMID:22824138

Meteor Observational Data Visualisation in the Equatorial Coordinate System Using Information Technology

NASA Astrophysics Data System (ADS)

Golovashchenko, V. A.; Kolomiyets, S. V.

As a result of dynamic evolution of IT industry and astronomical research in the XXI century, which have resulted in obtaining large and complex data sets known as Big Data (e.g. data from the European Space Agency missions, such as GAIA mission, etc.), as well as due to rapid development of computer technologies, astronomy and computer science have become closely linked to each other. In the XXI century, Information technology has become an essential part of understanding the world around. This paper presents a solution to the problem of meteor data representation in the second equatorial coordinate (RA-Dec) system using Information Technology. Such a visualisation solution is needed to analyse the results of experiments based on the radar observations conducted in 1972-1978 (stage 1 - the data obtained in 1972 comprise 10,247 meteor orbits), which have been accumulated and stored in the Meteor Database of the Kharkiv National University of Radio Electronics (KNURE). A sample set of data with their characteristics and details about their delivery has been presented by (Kashcheyev & Tkachuk, 1980). An electronic calculator application was developed by employing the model of data visualisation in the form of celestial hemispheres using the object-oriented programming language C#.

Efficient Radiative Transfer for Dynamically Evolving Stratified Atmospheres

NASA Astrophysics Data System (ADS)

Judge, Philip G.

2017-12-01

We present a fast multi-level and multi-atom non-local thermodynamic equilibrium radiative transfer method for dynamically evolving stratified atmospheres, such as the solar atmosphere. The preconditioning method of Rybicki & Hummer (RH92) is adopted. But, pressed for the need of speed and stability, a “second-order escape probability” scheme is implemented within the framework of the RH92 method, in which frequency- and angle-integrals are carried out analytically. While minimizing the computational work needed, this comes at the expense of numerical accuracy. The iteration scheme is local, the formal solutions for the intensities are the only non-local component. At present the methods have been coded for vertical transport, applicable to atmospheres that are highly stratified. The probabilistic method seems adequately fast, stable, and sufficiently accurate for exploring dynamical interactions between the evolving MHD atmosphere and radiation using current computer hardware. Current 2D and 3D dynamics codes do not include this interaction as consistently as the current method does. The solutions generated may ultimately serve as initial conditions for dynamical calculations including full 3D radiative transfer. The National Center for Atmospheric Research is sponsored by the National Science Foundation.

Dynamically adaptive data-driven simulation of extreme hydrological flows

NASA Astrophysics Data System (ADS)

Kumar Jain, Pushkar; Mandli, Kyle; Hoteit, Ibrahim; Knio, Omar; Dawson, Clint

2018-02-01

Hydrological hazards such as storm surges, tsunamis, and rainfall-induced flooding are physically complex events that are costly in loss of human life and economic productivity. Many such disasters could be mitigated through improved emergency evacuation in real-time and through the development of resilient infrastructure based on knowledge of how systems respond to extreme events. Data-driven computational modeling is a critical technology underpinning these efforts. This investigation focuses on the novel combination of methodologies in forward simulation and data assimilation. The forward geophysical model utilizes adaptive mesh refinement (AMR), a process by which a computational mesh can adapt in time and space based on the current state of a simulation. The forward solution is combined with ensemble based data assimilation methods, whereby observations from an event are assimilated into the forward simulation to improve the veracity of the solution, or used to invert for uncertain physical parameters. The novelty in our approach is the tight two-way coupling of AMR and ensemble filtering techniques. The technology is tested using actual data from the Chile tsunami event of February 27, 2010. These advances offer the promise of significantly transforming data-driven, real-time modeling of hydrological hazards, with potentially broader applications in other science domains.

Utilization of computer technology by science teachers in public high schools and the impact of standardized testing

NASA Astrophysics Data System (ADS)

Priest, Richard Harding

A significant percentage of high school science teachers are not using computers to teach their students or prepare them for standardized testing. A survey of high school science teachers was conducted to determine how they are having students use computers in the classroom, why science teachers are not using computers in the classroom, which variables were relevant to their not using computers, and what are the effects of standardized testing on the use of technology in the high school science classroom. A self-administered questionnaire was developed to measure these aspects of computer integration and demographic information. A follow-up telephone interview survey of a portion of the original sample was conducted in order to clarify questions, correct misunderstandings, and to draw out more holistic descriptions from the subjects. The primary method used to analyze the quantitative data was frequency distributions. Multiple regression analysis was used to investigate the relationships between the barriers and facilitators and the dimensions of instructional use, frequency, and importance of the use of computers. All high school science teachers in a large urban/suburban school district were sent surveys. A response rate of 58% resulted from two mailings of the survey. It was found that contributing factors to why science teachers do not use computers were not enough up-to-date computers in their classrooms and other educational commitments and duties do not leave them enough time to prepare lessons that include technology. While a high percentage of science teachers thought their school and district administrations were supportive of technology, they also believed more inservice technology training and follow-up activities to support that training are needed and more software needs to be created. The majority of the science teachers do not use the computer to help students prepare for standardized tests because they believe they can prepare students more efficiently without a computer. Nearly half of the teachers, however, gave lack of time to prepare instructional materials and lack of a means to project a computer image to the whole class as reasons they do not use computers. A significant percentage thought science standardized testing was having a negative effect on computer use.

Making objective decisions in mechanical engineering problems

NASA Astrophysics Data System (ADS)

Raicu, A.; Oanta, E.; Sabau, A.

2017-08-01

Decision making process has a great influence in the development of a given project, the goal being to select an optimal choice in a given context. Because of its great importance, the decision making was studied using various science methods, finally being conceived the game theory that is considered the background for the science of logical decision making in various fields. The paper presents some basic ideas regarding the game theory in order to offer the necessary information to understand the multiple-criteria decision making (MCDM) problems in engineering. The solution is to transform the multiple-criteria problem in a one-criterion decision problem, using the notion of utility, together with the weighting sum model or the weighting product model. The weighted importance of the criteria is computed using the so-called Step method applied to a relation of preferences between the criteria. Two relevant examples from engineering are also presented. The future directions of research consist of the use of other types of criteria, the development of computer based instruments for decision making general problems and to conceive a software module based on expert system principles to be included in the Wiki software applications for polymeric materials that are already operational.

Experimental Investigation of Mars Science Laboratory Entry Vehicle Aeroheating in AEDC Hypervelocity Tunnel 9

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Collier, Arnold S.

2017-01-01

An experimental investigation of the aeroheating environment of the Mars Science Laboratory entry vehicle was conducted in the Arnold Engineering Development Complex Hypervelocity Wind Tunnel 9. Testing was performed on a 6-in. (0.1524 m) diameter model in the tunnel's Mach 8 and Mach 10 nozzles at free stream Reynolds numbers from 4.1×10*exp 6)/ft to 49×10(exp 6)/ft and from 1.2×10(exp 6)/ft to 19×10(exp 6)/ft, respectively, using pure nitrogen test gas. These conditions spanned the boundary layer flow regimes from completely laminar to fully turbulent flow over the entire forebody. A computational fluid dynamics study was conducted in support of the wind tunnel testing. Laminar and turbulent solutions were generated for all wind tunnel test conditions and comparisons of predicted heating distributions were performed with the data. These comparisons showed agreement for most cases to within the estimated +/-12% experimental uncertainty margin for fully-laminar or fully-turbulent conditions, while transitional heating data were bounded by laminar and turbulent predictions. These results helped to define uncertainty margins on the use of computational tools for vehicle design.

P-HARP: A parallel dynamic spectral partitioner

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

Sohn, A.; Biswas, R.; Simon, H.D.

1997-05-01

Partitioning unstructured graphs is central to the parallel solution of problems in computational science and engineering. The authors have introduced earlier the sequential version of an inertial spectral partitioner called HARP which maintains the quality of recursive spectral bisection (RSB) while forming the partitions an order of magnitude faster than RSB. The serial HARP is known to be the fastest spectral partitioner to date, three to four times faster than similar partitioners on a variety of meshes. This paper presents a parallel version of HARP, called P-HARP. Two types of parallelism have been exploited: loop level parallelism and recursive parallelism.more » P-HARP has been implemented in MPI on the SGI/Cray T3E and the IBM SP2. Experimental results demonstrate that P-HARP can partition a mesh of over 100,000 vertices into 256 partitions in 0.25 seconds on a 64-processor T3E. Experimental results further show that P-HARP can give nearly a 20-fold speedup on 64 processors. These results indicate that graph partitioning is no longer a major bottleneck that hinders the advancement of computational science and engineering for dynamically-changing real-world applications.« less

Research in progress and other activities of the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1993-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics and computer science during the period April 1, 1993 through September 30, 1993. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustic and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

Research in progress in applied mathematics, numerical analysis, fluid mechanics, and computer science

NASA Technical Reports Server (NTRS)

1994-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1993 through March 31, 1994. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustics and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

77 FR 65417 - Proposal Review Panel for Computing Communication Foundations; Notice of Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-26

...: To assess the progress of the EIC Award, ``Collaborative Research: Computational Behavioral Science... NATIONAL SCIENCE FOUNDATION Proposal Review Panel for Computing Communication Foundations; Notice... National Science Foundation announces the following meeting: Name: Site Visit, Proposal Panel Review for...

The implementation and use of Ada on distributed systems with high reliability requirements

NASA Technical Reports Server (NTRS)

Knight, J. C.

1986-01-01

The general inadequacy of Ada for programming systems that must survive processor loss was shown. A solution to the problem was proposed in which there are no syntatic changes to Ada. The approach was evaluated using a full-scale, realistic application. The application used was the Advanced Transport Operating System (ATOPS), an experimental computer control system developed for a modified Boeing 737 aircraft. The ATOPS system is a full authority, real-time avionics system providing a large variety of advanced features. Methods of building fault tolerance into concurrent systems were explored. A set of criteria by which the proposed method will be judged was examined. Extensive interaction with personnel from Computer Sciences Corporation and NASA Langley occurred to determine the requirements of the ATOPS software. Backward error recovery in concurrent systems was assessed.

Computational design of materials for solar hydrogen generation

NASA Astrophysics Data System (ADS)

Umezawa, Naoto

Photocatalysis has a great potential for the production of hydrogen from aquerous solution under solar light. In this talk, two different approaches toward the computational materials desing for solar hydrogen generation will be presented. Tin (Sn), which has two major oxidation states, Sn2+ and Sn4+, is abundant on the earth's crust. Recently, visible-light responsive photocatalytc H2 evolution reaction was identified over a mixed valence tin oxide Sn3O4. We have carried out crystal structure prediction for mixed valence tin oxides in different atomic compositions under ambient pressure condition using advanced computational methods based on the evolutionary crystal-structure search and density-functional theory. The predicted novel crystal structures realize the desirable band gaps and band edge positions for H2 evolution under visible light irradiation. It is concluded that multivalent tin oxides have a great potential as an abundant, cheap and environmentally-benign solar-energy conversion photofunctional materials. Transition metal doping is effective for sensitizing SrTiO3 under visible light. We have theoretically investigated the roles of the doped Cr in STO based on hybrid density-functional calculations. Cr atoms are preferably substituting for Ti under any equilibrium growth conditions. The lower oxidation state Cr3+, which is stabilized under an n-type condition of STO, is found to be advantageous for the photocatalytic performance. It is firther predicted that lanthanum is the best codopant for stabilizing the favorable oxidation state, Cr3+. The prediction was validated by our experiments that La and Cr co-doped STO shows the best performance among examined samples. This work was supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) and International Research Fellow program of Japan Society for the Promotion of Science (JSPS) through project P14207.

Curricular Design for Intelligent Systems in Geosciences Using Urban Groundwater Studies.

NASA Astrophysics Data System (ADS)

Cabral-Cano, E.; Pierce, S. A.; Fuentes-Pineda, G.; Arora, R.

2016-12-01

Geosciences research frequently focuses on process-centered phenomena, studying combinations of physical, geological, chemical, biological, ecological, and anthropogenic factors. These interconnected Earth systems can be best understood through the use of digital tools that should be documented as workflows. To develop intelligent systems, it is important that geoscientists and computing and information sciences experts collaborate to: (1) develop a basic understanding of the geosciences and computing and information sciences disciplines so that the problem and solution approach are clear to all stakeholders, and (2) implement the desired intelligent system with a short turnaround time. However, these interactions and techniques are seldom covered in traditional Earth Sciences curricula. We have developed an exchange course on Intelligent Systems for Geosciences to support workforce development and build capacity to facilitate skill-development at the undergraduate student-level. The first version of this course was offered jointly by the University of Texas at Austin and the Universidad Nacional Autónoma de México as an intensive, study-abroad summer course. Content included: basic Linux introduction, shell scripting and high performance computing, data management, experts systems, field data collection exercises and basics of machine learning. Additionally, student teams were tasked to develop a term projects that centered on applications of Intelligent Systems applied to urban and karst groundwater systems. Projects included expert system and reusable workflow development for subsidence hazard analysis in Celaya, Mexico, a classification model to analyze land use change over a 30 Year Period in Austin, Texas, big data processing and decision support for central Texas groundwater case studies and 3D mapping with point cloud processing at three Texas field sites. We will share experiences and pedagogical insights to improve future versions of this course.

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

High School Students Learning University Level Computer Science on the Web: A Case Study of the "DASK"-Model

ERIC Educational Resources Information Center

Grandell, Linda

2005-01-01

Computer science is becoming increasingly important in our society. Meta skills, such as problem solving and logical and algorithmic thinking, are emphasized in every field, not only in the natural sciences. Still, largely due to gaps in tuition, common misunderstandings exist about the true nature of computer science. These are especially…

Report on Computing and Networking in the Space Science Laboratory by the SSL Computer Committee

NASA Technical Reports Server (NTRS)

Gallagher, D. L. (Editor)

1993-01-01

The Space Science Laboratory (SSL) at Marshall Space Flight Center is a multiprogram facility. Scientific research is conducted in four discipline areas: earth science and applications, solar-terrestrial physics, astrophysics, and microgravity science and applications. Representatives from each of these discipline areas participate in a Laboratory computer requirements committee, which developed this document. The purpose is to establish and discuss Laboratory objectives for computing and networking in support of science. The purpose is also to lay the foundation for a collective, multiprogram approach to providing these services. Special recognition is given to the importance of the national and international efforts of our research communities toward the development of interoperable, network-based computer applications.

On the Solution of the Three-Dimensional Flowfield About a Flow-Through Nacelle. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Compton, William Bernard

1985-01-01

The solution of the three dimensional flow field for a flow through nacelle was studied. Both inviscid and viscous inviscid interacting solutions were examined. Inviscid solutions were obtained with two different computational procedures for solving the three dimensional Euler equations. The first procedure employs an alternating direction implicit numerical algorithm, and required the development of a complete computational model for the nacelle problem. The second computational technique employs a fourth order Runge-Kutta numerical algorithm which was modified to fit the nacelle problem. Viscous effects on the flow field were evaluated with a viscous inviscid interacting computational model. This model was constructed by coupling the explicit Euler solution procedure with a flag entrainment boundary layer solution procedure in a global iteration scheme. The computational techniques were used to compute the flow field for a long duct turbofan engine nacelle at free stream Mach numbers of 0.80 and 0.94 and angles of attack of 0 and 4 deg.

A review of Computer Science resources for learning and teaching with K-12 computing curricula: an Australian case study

NASA Astrophysics Data System (ADS)

Falkner, Katrina; Vivian, Rebecca

2015-10-01

To support teachers to implement Computer Science curricula into classrooms from the very first year of school, teachers, schools and organisations seek quality curriculum resources to support implementation and teacher professional development. Until now, many Computer Science resources and outreach initiatives have targeted K-12 school-age children, with the intention to engage children and increase interest, rather than to formally teach concepts and skills. What is the educational quality of existing Computer Science resources and to what extent are they suitable for classroom learning and teaching? In this paper, an assessment framework is presented to evaluate the quality of online Computer Science resources. Further, a semi-systematic review of available online Computer Science resources was conducted to evaluate resources available for classroom learning and teaching and to identify gaps in resource availability, using the Australian curriculum as a case study analysis. The findings reveal a predominance of quality resources, however, a number of critical gaps were identified. This paper provides recommendations and guidance for the development of new and supplementary resources and future research.

Ambient belonging: how stereotypical cues impact gender participation in computer science.

PubMed

Cheryan, Sapna; Plaut, Victoria C; Davies, Paul G; Steele, Claude M

2009-12-01

People can make decisions to join a group based solely on exposure to that group's physical environment. Four studies demonstrate that the gender difference in interest in computer science is influenced by exposure to environments associated with computer scientists. In Study 1, simply changing the objects in a computer science classroom from those considered stereotypical of computer science (e.g., Star Trek poster, video games) to objects not considered stereotypical of computer science (e.g., nature poster, phone books) was sufficient to boost female undergraduates' interest in computer science to the level of their male peers. Further investigation revealed that the stereotypical broadcast a masculine stereotype that discouraged women's sense of ambient belonging and subsequent interest in the environment (Studies 2, 3, and 4) but had no similar effect on men (Studies 3, 4). This masculine stereotype prevented women's interest from developing even in environments entirely populated by other women (Study 2). Objects can thus come to broadcast stereotypes of a group, which in turn can deter people who do not identify with these stereotypes from joining that group.

Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

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

Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.

Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for coarse grained models of electrolyte solution. Here, we provide rigorous definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation (DFT-MD) and isolate the effects of charge and cavitation,more » comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to highly unphysical values for the solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry (CHA) for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation. We would like to thank Thomas Beck, Shawn Kathmann, Richard Remsing and John Weeks for helpful discussions. Computing resources were generously allocated by PNNL's Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS, and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the U.S. Department of Energy.« less

Debunking the Computer Science Digital Library: Lessons Learned in Collection Development at Seneca College of Applied Arts & Technology

ERIC Educational Resources Information Center

Buczynski, James Andrew

2005-01-01

Developing a library collection to support the curriculum of Canada's largest computer studies school has debunked many myths about collecting computer science and technology information resources. Computer science students are among the heaviest print book and e-book users in the library. Circulation statistics indicate that the demand for print…

Snatching Defeat from the Jaws of Victory: When Good Projects Go Bad. Girls and Computer Science.

ERIC Educational Resources Information Center

Sanders, Jo

In week-long semesters in the summers of 1997, 1998, and 1999, the 6APT (Summer Institute in Computer Science for Advanced Placement Teachers) project taught 240 high school teachers of Advanced Placement Computer Science (APCS) about gender equity in computers. Teachers were then followed through 2000. Results indicated that while teachers, did…

77 FR 12823 - Advanced Scientific Computing Advisory Committee

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-02

... Exascale ARRA projects--Magellan final report, Advanced Networking update Status from Computer Science COV Early Career technical talks Summary of Applied Math and Computer Science Workshops ASCR's new SBIR..., Office of Science. ACTION: Notice of Open Meeting. SUMMARY: This notice announces a meeting of the...

75 FR 18407 - Investing in Innovation Fund

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-12

... include computer science rather than science. To correct this error, the Department makes the following..., in footnote number eight, in line six, ``including science'' is replaced with ``including computer... obtain this document in an accessible format (e.g., Braille, large print, audiotape, or computer diskette...

Innovative Science Experiments Using Phoenix

ERIC Educational Resources Information Center

Kumar, B. P. Ajith; Satyanarayana, V. V. V.; Singh, Kundan; Singh, Parmanand

2009-01-01

A simple, flexible and very low cost hardware plus software framework for developing computer-interfaced science experiments is presented. It can be used for developing computer-interfaced science experiments without getting into the details of electronics or computer programming. For developing experiments this is a middle path between…

The Metamorphosis of an Introduction to Computer Science.

ERIC Educational Resources Information Center

Ben-Jacob, Marion G.

1997-01-01

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

All Roads Lead to Computing: Making, Participatory Simulations, and Social Computing as Pathways to Computer Science

ERIC Educational Resources Information Center

Brady, Corey; Orton, Kai; Weintrop, David; Anton, Gabriella; Rodriguez, Sebastian; Wilensky, Uri

2017-01-01

Computer science (CS) is becoming an increasingly diverse domain. This paper reports on an initiative designed to introduce underrepresented populations to computing using an eclectic, multifaceted approach. As part of a yearlong computing course, students engage in Maker activities, participatory simulations, and computing projects that…

After-Hours Science: Microchips and Onion Dip.

ERIC Educational Resources Information Center

Brugger, Steve

1984-01-01

Computer programs were developed for a science center nutrition exhibit. The exhibit was recognized by the National Science Teachers Association Search for Excellence in Science Education as an outstanding science program. The computer programs (Apple II) and their use in the exhibit are described. (BC)

Data and Communications in Basic Energy Sciences: Creating a Pathway for Scientific Discovery

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

Nugent, Peter E.; Simonson, J. Michael

2011-10-24

This report is based on the Department of Energy (DOE) Workshop on “Data and Communications in Basic Energy Sciences: Creating a Pathway for Scientific Discovery” that was held at the Bethesda Marriott in Maryland on October 24-25, 2011. The workshop brought together leading researchers from the Basic Energy Sciences (BES) facilities and Advanced Scientific Computing Research (ASCR). The workshop was co-sponsored by these two Offices to identify opportunities and needs for data analysis, ownership, storage, mining, provenance and data transfer at light sources, neutron sources, microscopy centers and other facilities. Their charge was to identify current and anticipated issues inmore » the acquisition, analysis, communication and storage of experimental data that could impact the progress of scientific discovery, ascertain what knowledge, methods and tools are needed to mitigate present and projected shortcomings and to create the foundation for information exchanges and collaboration between ASCR and BES supported researchers and facilities. The workshop was organized in the context of the impending data tsunami that will be produced by DOE’s BES facilities. Current facilities, like SLAC National Accelerator Laboratory’s Linac Coherent Light Source, can produce up to 18 terabytes (TB) per day, while upgraded detectors at Lawrence Berkeley National Laboratory’s Advanced Light Source will generate ~10TB per hour. The expectation is that these rates will increase by over an order of magnitude in the coming decade. The urgency to develop new strategies and methods in order to stay ahead of this deluge and extract the most science from these facilities was recognized by all. The four focus areas addressed in this workshop were: Workflow Management - Experiment to Science: Identifying and managing the data path from experiment to publication. Theory and Algorithms: Recognizing the need for new tools for computation at scale, supporting large data sets and realistic theoretical models. Visualization and Analysis: Supporting near-real-time feedback for experiment optimization and new ways to extract and communicate critical information from large data sets. Data Processing and Management: Outlining needs in computational and communication approaches and infrastructure needed to handle unprecedented data volume and information content. It should be noted that almost all participants recognized that there were unlikely to be any turn-key solutions available due to the unique, diverse nature of the BES community, where research at adjacent beamlines at a given light source facility often span everything from biology to materials science to chemistry using scattering, imaging and/or spectroscopy. However, it was also noted that advances supported by other programs in data research, methodologies, and tool development could be implemented on reasonable time scales with modest effort. Adapting available standard file formats, robust workflows, and in-situ analysis tools for user facility needs could pay long-term dividends. Workshop participants assessed current requirements as well as future challenges and made the following recommendations in order to achieve the ultimate goal of enabling transformative science in current and future BES facilities: Theory and analysis components should be integrated seamlessly within experimental workflow. Develop new algorithms for data analysis based on common data formats and toolsets. Move analysis closer to experiment. Move the analysis closer to the experiment to enable real-time (in-situ) streaming capabilities, live visualization of the experiment and an increase of the overall experimental efficiency. Match data management access and capabilities with advancements in detectors and sources. Remove bottlenecks, provide interoperability across different facilities/beamlines and apply forefront mathematical techniques to more efficiently extract science from the experiments. This workshop report examines and reviews the status of several BES facilities and highlights the successes and shortcomings of the current data and communication pathways for scientific discovery. It then ascertains what methods and tools are needed to mitigate present and projected data bottlenecks to science over the next 10 years. The goal of this report is to create the foundation for information exchanges and collaborations among ASCR and BES supported researchers, the BES scientific user facilities, and ASCR computing and networking facilities. To jumpstart these activities, there was a strong desire to see a joint effort between ASCR and BES along the lines of the highly successful Scientific Discovery through Advanced Computing (SciDAC) program in which integrated teams of engineers, scientists and computer scientists were engaged to tackle a complete end-to-end workflow solution at one or more beamlines, to ascertain what challenges will need to be addressed in order to handle future increases in data« less

Orion Service Module Reaction Control System Plume Impingement Analysis Using PLIMP/RAMP2

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen J.; Gati, Frank; Yuko, James R.; Motil, Brian J.; Lumpkin, Forrest E.

2009-01-01

The Orion Crew Exploration Vehicle Service Module Reaction Control System engine plume impingement was computed using the plume impingement program (PLIMP). PLIMP uses the plume solution from RAMP2, which is the refined version of the reacting and multiphase program (RAMP) code. The heating rate and pressure (force and moment) on surfaces or components of the Service Module were computed. The RAMP2 solution of the flow field inside the engine and the plume was compared with those computed using GASP, a computational fluid dynamics code, showing reasonable agreement. The computed heating rate and pressure using PLIMP were compared with the Reaction Control System plume model (RPM) solution and the plume impingement dynamics (PIDYN) solution. RPM uses the GASP-based plume solution, whereas PIDYN uses the SCARF plume solution. Three sets of the heating rate and pressure solutions agree well. Further thermal analysis on the avionic ring of the Service Module showed that thermal protection is necessary because of significant heating from the plume.

Computing Education in Korea--Current Issues and Endeavors

ERIC Educational Resources Information Center

Choi, Jeongwon; An, Sangjin; Lee, Youngjun

2015-01-01

Computer education has been provided for a long period of time in Korea. Starting as a vocational program, the content of computer education for students evolved to include content on computer literacy, Information Communication Technology (ICT) literacy, and brand-new computer science. While a new curriculum related to computer science was…

75 FR 18492 - Investing in Innovation Fund; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-12

... those disciplines, we intended to include computer science rather than science. To correct this error... ``including computer science.'' Program Authority: Section 14007 of division A of the American Recovery and....g., braille, large print, audiotape, or computer diskette) on request to the contact listed in this...

Process-Based Development of Competence Models to Computer Science Education

ERIC Educational Resources Information Center

Zendler, Andreas; Seitz, Cornelia; Klaudt, Dieter

2016-01-01

A process model ("cpm.4.CSE") is introduced that allows the development of competence models in computer science education related to curricular requirements. It includes eight subprocesses: (a) determine competence concept, (b) determine competence areas, (c) identify computer science concepts, (d) assign competence dimensions to…

The Role of Physicality in Rich Programming Environments

ERIC Educational Resources Information Center

Liu, Allison S.; Schunn, Christian D.; Flot, Jesse; Shoop, Robin

2013-01-01

Computer science proficiency continues to grow in importance, while the number of students entering computer science-related fields declines. Many rich programming environments have been created to motivate student interest and expertise in computer science. In the current study, we investigated whether a recently created environment, Robot…

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

ERIC Educational Resources Information Center

Pollack, Seymour V., Ed.

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

Effectiveness of Kanban Approaches in Systems Engineering within Rapid Response Environments

DTIC Science & Technology

2012-01-01

Procedia Computer Science Procedia Computer Science 00 (2012) 000–000 www.elsevier.com/locate/ procedia New Challenges in Systems...Author name / Procedia Computer Science 00 (2011) 000–000 inefficient use of resources. The move from ―one step to glory‖ system initiatives to...University of Science and Technology Effectiveness of kanban approaches in systems engineering within rapid response environments Richard Turner

Effects of a Teacher Professional Development Program on Science Teachers' Views about Using Computers in Teaching and Learning

ERIC Educational Resources Information Center

Çetin, Nagihan Imer

2016-01-01

The purpose of this study was to examine science teachers' level of using computers in teaching and the impact of a teacher professional development program (TPDP) on their views regarding utilizing computers in science education. Forty-three in-service science teachers from different regions of Turkey attended a 5 day TPDP. The TPDP was…

Computational perspectives in the history of science: to the memory of Peter Damerow.

PubMed

Laubichler, Manfred D; Maienschein, Jane; Renn, Jürgen

2013-03-01

Computational methods and perspectives can transform the history of science by enabling the pursuit of novel types of questions, dramatically expanding the scale of analysis (geographically and temporally), and offering novel forms of publication that greatly enhance access and transparency. This essay presents a brief summary of a computational research system for the history of science, discussing its implications for research, education, and publication practices and its connections to the open-access movement and similar transformations in the natural and social sciences that emphasize big data. It also argues that computational approaches help to reconnect the history of science to individual scientific disciplines.