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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round (2015)

Chapter: APPENDIX E: THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES

« Previous: APPENDIX D: COMMITTEE ON PROPOSAL EVALUATION FOR ALLOCATION OF SUPERCOMPUTING TIME FOR THE STUDY OF MOLECULAR DYNAMICS, FIFTH ROUND
Suggested Citation:"APPENDIX E: THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES." National Academies of Sciences, Engineering, and Medicine. 2015. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round. Washington, DC: The National Academies Press. doi: 10.17226/21817.
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Suggested Citation:"APPENDIX E: THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES." National Academies of Sciences, Engineering, and Medicine. 2015. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round. Washington, DC: The National Academies Press. doi: 10.17226/21817.
×
Page 24
Suggested Citation:"APPENDIX E: THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES." National Academies of Sciences, Engineering, and Medicine. 2015. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round. Washington, DC: The National Academies Press. doi: 10.17226/21817.
×
Page 25
Suggested Citation:"APPENDIX E: THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES." National Academies of Sciences, Engineering, and Medicine. 2015. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round. Washington, DC: The National Academies Press. doi: 10.17226/21817.
×
Page 26

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APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE ACADEMIES BOARD ON LIFE SCIENCES Members JAMES P. COLLINS (Chair), Arizona State University, Tempe, Arizona ENRIQUETA C. BOND, Burroughs Wellcome Fund, Marshall, Virginia ROGER D. CONE, Vanderbilt University Medical Center, Nashville, Tennessee JOSEPH R. ECKER, Salk Institute for Biological Studies, LaJolla, California SEAN EDDY, HHMI Janelia Farm Research Campus, Ashburn, Virginia SARAH C.R. ELGIN, Washington University, St. Louis, Missouri DAVID R. FRANZ, Consultant, Frederick, Maryland STEPHEN FRIEND, Sage Bionetworks, Seattle, Washington ELIZABETH HEITMAN, Vanderbilt University Medical Center, Nashville, Tennessee RICHARD A. JOHNSON, Arnold & Porter, LLC, Washington, District of Columbia JUDITH KIMBLE, University of Wisconsin, Madison, Wisconsin MARY E. MAXON, Lawrence Berkeley National Laboratory, Berkley, California KAREN E. NELSON, J. Craig Venter Institute, Rockville, Maryland ROBERT M. NEREM, Georgia Institute of Technology, Atlanta, Georgia MARY E. POWER, University of California, Berkeley, California MARGARET RILEY, University of Massachusetts, Amherst LANA SKIRBOLL, Sanofi, Washington, District of Columbia JANIS C. WEEKS, University of Oregon, Eugene, Oregon MARY WOOLLEY, Research!America, Alexandria, Virginia National Research Council Staff FRANCES E. SHARPLES, Director JO L. HUSBANDS, Scholar/Senior Project Director JAY B. LABOV, Senior Scientist/Program Director for Biology Education KATHERINE W. BOWMAN, Senior Program Officer MARILEE K. SHELTON-DAVENPORT, Senior Program Officer KEEGAN SAWYER, Program Officer AUDREY THEVENON, Associate Program Officer BETHELHEM M. MEKASHA, Financial Associate ANGELA KOLESNIKOVA, Administrative Assistant VANESSA LESTER, Research Associate JENNA OGILVIE, Senior Program Assistant KANOKO MAEDA, Senior Program Assistant 21

BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY Members TIMOTHY SWAGER (Co-Chair), Massachusetts Institute of Technology, Cambridge DAVID WALT (Co-Chair), Tufts University, Medford, Massachusetts HÉCTOR D. ABRUÑA, Cornell University, Ithaca, New York JOEL C. BARRISH, Bristol-Myers Squibb, Princeton, New Jersey MARK A. BARTEAU, University of Michigan, Ann Arbor DAVID BEM, The Dow Chemical Company, Philadelphia, Pennsylvania ROBERT G. BERGMAN, University of California, Berkeley JOAN BRENNECKE, University of Notre Dame, Indiana HENRY E. BRYNDZA, E. I. du Pont de Nemours & Company, Wilmington, Delaware MICHELLE V. BUCHANAN, Oak Ridge National Laboratory, Oak Ridge, Tennessee DAVID W. CHRISTIANSON, University of Pennsylvania, Philadelphia RICHARD EISENBERG, University of Rochester, New York JILL HRUBY, Sandia National Laboratories, Albuquerque, New Mexico FRANCES S. LIGLER, University of Chapel Hill and North Carolina State University, Raleigh SANDER G. MILLS, Merck Research Laboratories (Ret.), Scotch Plains, New Jersey JOSEPH B. POWELL, Shell, Houston, Texas ROBERT E. ROBERTS, Institute for Defense Analyses, Alexandria, Virginia PETER J. ROSSKY, Rice University, Houston, Texas DARLENE SOLOMON, Agilent Technologies, Santa Clara, California National Research Council Staff TERESA FRYBERGER, Director KATHRYN HUGHES, Senior Program Officer DOUGLAS FRIEDMAN, Senior Program Officer CARL GUSTAV-ANDERSON, Research Associate ELIZABETH FINKELMAN, Program Coordinator NAWINA MATSHONA, Senior Program Assistant CAMLY TRAN, Postdoctoral Fellow 22

The National Academy of Sciences was established in 1863 by an Act of Congress, signed by President Lincoln, as a private, nongovernmental institution to advise the nation on issues related to science and technology. Members are elected by their peers for outstanding contributions to research. Dr. Ralph J. Cicerone is president. The National Academy of Engineering was established in 1964 under the charter of the National Academy of Sciences to bring the practices of engineering to advising the nation. Members are elected by their peers for extraordinary contributions to engineering. Dr. C. D. Mote, Jr., is president. The National Academy of Medicine (formerly the Institute of Medicine) was established in 1970 under the charter of the National Academy of Sciences to advise the nation on medical and health issues. Members are elected by their peers for distinguished contributions to medicine and health. Dr. Victor J. Dzau is president. The three Academies work together as the National Academies of Sciences, Engineering, and Medicine to provide independent, objective analysis and advice to the nation and conduct other activities to solve complex problems and inform public policy decisions. The Academies also encourage education and research, recognize outstanding contributions to knowledge, and increase public understanding in matters of science, engineering, and medicine. Learn more about the National Academies of Sciences, Engineering, and Medicine at www.national-academies.org. 23

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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round Get This Book
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 Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Sixth Round
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This report describes the work of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round. The committee evaluated submissions received in response to a Request for Proposals (RFP) for biomolecular simulation time on Anton, a supercomputer specially designed and built by D.E. Shaw Research (DESRES). Over the past five years, DESRES has made an Anton system housed at the Pittsburgh Supercomputing Center (PSC) available to the non-commercial research community, based on the advice of previous National Research Council committees. As in prior rounds, the goal of the sixth RFP for simulation time on Anton is to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations. The program seeks to continue to support research that addresses important and high impact questions demonstrating a clear need for Anton's special capabilities.

Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round is the report of the committee's evaluation of proposals based on scientific merit, justification for requested time allocation, and investigator qualifications and past accomplishments. This report identifies the proposals that best met the selection criteria.

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