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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round (2014)

Chapter: APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL 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 NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
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APPENDIX E

THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL 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

JOHN G. HILDEBRAND, University of Arizona, Tucson

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. BANJAW, Financial Associate

ANGELA KOLESNIKOVA, Administrative Assistant

JENNA OGILVIE, Senior Program Assistant

LAUREN SONI, Senior Program Assistant

Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×

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

Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×

THE NATIONAL ACADEMIES

Advisers to the Nation on Science, Engineering, and Medicine

The National Academy of Sciences is a private, nonprofit, self-perpetuating society of distinguished scholars engaged in scientific and engineering research, dedicated to the furtherance of science and technology and to their use for the general welfare. Upon the authority of the charter granted to it by the Congress in 1863, the Academy has a mandate that requires it to advise the federal government on scientific and technical matters. Dr. Ralph J. Cicerone is president of the National Academy of Sciences.

The National Academy of Engineering was established in 1964, under the charter of the National Academy of Sciences, as a parallel organization of outstanding engineers. It is autonomous in its administration and in the selection of its members, sharing with the National Academy of Sciences the responsibility for advising the federal government. The National Academy of Engineering also sponsors engineering programs aimed at meeting national needs, encourages education and research, and recognizes the superior achievements of engineers. Dr. C. D. Mote, Jr., is president of the National Academy of Engineering.

The Institute of Medicine was established in 1970 by the National Academy of Sciences to secure the services of eminent members of appropriate professions in the examination of policy matters pertaining to the health of the public. The Institute acts under the responsibility given to the National Academy of Sciences by its congressional charter to be an adviser to the federal government and, upon its own initiative, to identify issues of medical care, research, and education. Dr. Victor J. Dzau is president of the Institute of Medicine.

The National Research Council was organized by the National Academy of Sciences in 1916 to associate the broad community of science and technology with the Academy’s purposes of furthering knowledge and advising the federal government. Functioning in accordance with general policies determined by the Academy, the Council has become the principal operating agency of both the National Academy of Sciences and the National Academy of Engineering in providing services to the government, the public, and the scientific and engineering communities. The Council is administered jointly by both Academies and the Institute of Medicine. Dr. Ralph J. Cicerone and Dr. C. D. Mote, Jr., are chair and vice chair, respectively, of the National Research Council.

www.national-academies.org

Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×

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Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×
Page 23
Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×
Page 24
Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×
Page 25
Suggested Citation:"APPENDIX E THE BOARD ON LIFE SCIENCES, THE BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY, AND THE NATIONAL ACADEMIES." National Research Council. 2014. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Fifth Round. Washington, DC: The National Academies Press. doi: 10.17226/18961.
×
Page 26
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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, Third Round. The committee evaluated submissions received in response to a request for proposals for biomolecular simulation time on Anton, a supercomputer specially designed and built by D.E. Shaw Research (DESRES) that allows for dramatically increased molecular dynamics simulations compared to other currently available resources. These special capabilities allow multi-microsecond to millisecond simulation timescales, which previously had been unobtainable. Over the past two years (October 1, 2010 – September 30, 2012), DESRES has made available to the noncommercial research community node-hours on an Anton system housed at the Pittsburgh Supercomputing Center, based on the advice of previous National Research Council committees convened in the fall of 2010 and 2011. The success of the program has led DESRES to make the Anton machine available for an additional 3,700,000 node-hours over the 9 months following October 2012, and DESRES asked the National Research Council to once again facilitate the allocation of time to the noncommercial research community.

Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Third Round is the report of the committee's evaluation of proposals for time allocations in order to continue to facilitate breakthrough research in the study of biomolecular systems. The committee sought to continue to support research that addresses important and high impact questions demonstrating a clear need for Anton's special capabilities. The committee evaluated 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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