Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics Third Round (2012) / Chapter Skim
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Letter from the Committee
Letter from the Committee
Pages 2-8
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The success of the program has led DESRES to make the Anton machine housed at PSC available for an additional 3,700,000 node-hours over the 9 months following October 2012, and DESRES has asked the National Research Council to once again facilitate the allocation of time to the noncommercial research community. The work of the National Research Council committee to evaluate proposals for time allocations was supported by a contract between D.E.
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The Anton RFP described the three criteria against which the committee was asked to evaluate proposals: x Scientific Merit, including the potential to advance understanding on an important problem or question in the field; potential for breakthrough science resulting in new discoveries and understanding; the impact that successful completion of the proposed research would have on knowledge, methods, and current barriers in the field; and a scientifically and technologically feasible project with clear, well-developed, and appropriate goals, objectives, and approach to proposed studies. x Justification for Requested Time Allocation, including a clear and well-justified need for multi-microsecond simulation timescales and a 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.
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PSCA12017P 20 microsecond simulation of charge-shift electron transfer reaction in bacterial photosynthesis; PI: Matyushov, Arizona State University [New user, identified for 45,000 node-hours] PSCA12018P Exploring the Membrane Selectivity of Antimicrobial Peptides; PI: Kim, University of California San Diego [Returning user, identified for 59,000 node-hours]
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Pump; PI: Woolf, Johns Hopkins University [Returning user, identified for 100,000 node-hours] PSCA12031P Understanding Kinase Regulation through Microsecond Timescale Simulations of Protein Kinase A; PI: Amaro, University of California San Diego [New user, identified for 100,000 node-hours]
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PSCA12045P Exploration of the Human Adenovirus Protease Activation Pathway via Long Timescale Molecular Dynamics Simulations; PI: Walker, University of California San Diego [Returning user, identified for 65,000 node-hours]
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Warren Muir, National Research Council Dr. Frances Sharples, National Research Council 1 The 100,000 node-hour level is defined as proposals that were identified for 70,000 node-hours or greater.
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Individual Proposal Summary Evaluations C Proposal Review Criteria D
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