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Suggested Citation:"Appendix C: Proposal Review Criteria." 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 C

PROPOSAL REVIEW CRITERIA

The committee used the points below to help guide its review of the proposals. The reviewers were asked to comment on the strengths and weaknesses of the proposals by considering the following:

Level of scientific merit

  1. Potential to advance understanding of an important problem or question in the field; potential for breakthrough science resulting in new discoveries and understanding
  2. Impact that successful completion of the proposed research would have on the knowledge, methods, and current barriers in the field
  3. Project is scientifically and technologically feasible with clear, well-developed, and appropriate goals, objectives, and approach to the proposed studies

Justification for requested time allocation

  1. Clear and well-justified need for multi-microsecond simulation time
  2. Clear and convincing justification that the length and number of proposed simulation runs and node-hours requested are necessary and sufficient to achieve the scientific objectives

Investigator qualifications and past accomplishments

  1. Appropriate experience and training to successfully conduct the proposed studies
  2. Evidence of knowledge and prior experience with molecular simulations
  3. Past publications
Suggested Citation:"Appendix C: Proposal Review Criteria." 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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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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