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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round (2012)

Chapter: Appendix E: The Board on Life Sciences, the Board on Chemical Sciences and Technology, and the National Academies

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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. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
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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

 JO HANDELSMAN (Chair), Yale University, California, New Haven, Connecticut

VICKI L. CHANDLER, Gordon and Betty Moore Foundation, Palo Alto, California

SEAN EDDY, HHMI Janelia Farm Research Campus, Ashburn, Virginia

 SARAH C.R. ELGIN, Washington University, St. Louis, Missouri

DAVID R. FRANZ, Former Cdr USAMRIID, Frederick, Maryland

LOUIS J. GROSS, University of Tennessee, Knoxville, Tennessee

RICHARD A. JOHNSON, Arnold & Porter, LLC, Washington, D.C.

JUDITH KIMBLE, University of Wisconsin, Madison, Wisconsin

CATO T. LAURENCIN, University of Connecticut Health Center, Farmington, Connecticut

ALAN I. LESHNER, American Association for the Advancement of Science, Washington, D.C.

BERNARD LO, University of California, San Francisco, California

KAREN E. NELSON, J. Craig Venter Institute, Rockville, Maryland

ROBERT M. NEREM, Georgia Institute of Technology, Atlanta, Georgia

CAMILLE PARMESAN, University of Texas, Austin, Texas

 ALISON G. POWER, Cornell University, Ithaca, New York

MARGARET RILEY, University of Massachusetts, Amherst, Massachusetts

BRUCE W. STILLMAN, Cold Spring Harbor Laboratory, Cold Spring Harbor, New York

JANIS C. WEEKS, University of Oregon, Eugene, Oregon

CYNTHIA WOLBERGER, Johns Hopkins University School of Medicine, Baltimore, Maryland

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

INDIA HOOK-BARNARD, Senior Program Officer

MARILEE K. SHELTON-DAVENPORT, Senior Program Officer

KEEGAN SAWYER, Program Officer

BETHELHEM M. BANJAW, Financial Associate

ORIN E. LUKE, Senior Program Assistant

CARL G. ANDERSON, Program Associate

SAYYEDA AYESHA AHMED, 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. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
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BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY

PABLO DEBENEDETTI (Co-chair), Princeton University, New Jersey

C. DALE POULTER (Co-chair), University of Utah, Salt Lake City

ZHENAN BAO, Stanford University, California

ROBERT BERGMAN, University of California, Berkeley

HENRY BRYNDZA, E. I. du Pont de Nemours & Company, Wilmington, Delaware

EMILY CARTER, Princeton University, New Jersey

DAVID CHRISTIANSON, University of Pennsylvania

MARY JANE HAGENSON, Chevron Phillips Chemical Company, LLC, The Woodlands, Texas

CAROL J. HENRY, The George Washington University, Washington, D.C.

JILL HRUBY, Sandia National Laboratories, Albuquerque, New Mexico

MICHAEL KERBY, ExxonMobil Chemical Company, Baytown, Texas

CHARLES E. KOLB, Aerodyne Research, Inc., Billerica, Massachusetts

JOSEF MICHL, University of Colorado, Boulder

SANDER MILLS, Merck, Sharp, & Dohme Corporation, Kenilworth, New Jersey

DAVID MORSE, Corning International, Corning, New York

ROBERT E. ROBERTS, Institute for Defense Analyses, Washington, D.C.

DARLENE J. S. SOLOMON, Aligent Laboratories, Santa Clara, California

JEAN TOM, Bristol-Myers Squibb, West Windsor, New Jersey

DAVID WALT, Tufts University, Medford, Massachusetts

NATIONAL RESEARCH COUNCIL STAFF

DOROTHY ZOLANDZ, Director

KATHRYN HUGHES, Senior Program Officer

DOUGLAS FRIEDMAN, Program Officer

AMANDA CLINE, Administrative Assistant

SHEENA SIDDIQUI, Senior Program Associate

RACHEL YANCEY, 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. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
×

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. Charles M. Vest 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. Harvey V. Fineberg 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. Charles M. Vest 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. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
×
Page 17
Suggested Citation:"Appendix E: The Board on Life Sciences, the Board on Chemical Sciences and Technology, and the National Academies." National Research Council. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
×
Page 18
Suggested Citation:"Appendix E: The Board on Life Sciences, the Board on Chemical Sciences and Technology, and the National Academies." National Research Council. 2012. Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round. Washington, DC: The National Academies Press. doi: 10.17226/14671.
×
Page 19
Next: Appendix F: Acknowledgment of Report Reviewer »
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 Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Third Round
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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) that allows for dramatically increased molecular dynamics simulations compared to other currently available resources. During the past 2 years, DESRES has made available to the non-commercial research community node-hours on an Anton system housed at the Pittsburgh Supercomputing Center (PSC), based on the advice of previous National Research Council committees convened in the falls of 2010 and 2011.

The success of the program has left DESRES to make the Anton machine housed at the PSC available for an additional 3.7 million node-hours during the 9 months following October 2012. DESRES has asked the National Research Council (NRC) to once again facilitate the allocation of time to the non-commercial research community. To undertake this task, the NRC convened a committee of experts to evaluate the proposals submitted in response to the aforementioned RFP. The committee members were selected for their expertise in molecular dynamics simulations, as well as their experience in the subject areas represented in the 52 proposals that were considered by the committee. They comprised a cross-section of the biomolecular dynamics field in academia, industry, and government, including an array of both senior and junior investigators.

The goal of the third RFP for Biomolecular Simulation Time on Anton has been to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations. These special capabilities allow multi-microsecond to millisecond simulation timescales, which previously had been unobtainable. 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: Third Round is a summary of the proposals, research, and criteria set forth in the RFP for Biomolecular Simulation Time on Anton.

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