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Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Fifteenth Round

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This proposal review committee will evaluate submissions received in response to a Request for Proposals for biomolecular simulation time on Anton 3, a supercomputer specially designed and built by D.E. Shaw Research (DESRES). For several years, DESRES has made an Anton or Anton 2 system housed at the Pittsburgh Supercomputing Center available to the non-commercial research community, based on the advice of previous National Academies committees. This year marks the transition to Anton 3. The goal is to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations.

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Description

At the request of the Pittsburgh Supercomputing Center (PSC) and D.E. Shaw Research (DESRES), the National Academies of Sciences, Engineering, and Medicine will appoint a fifteenth committee of experts to review proposals for allocations of time to conduct molecular dynamics (MD) simulations of biological molecules using an Anton 3 computer housed at PSC. Proposals will be evaluated on the basis of selection criteria in the Request for Proposals including (a) scientific merit, (b) the capabilities, past accomplishments, and/or scientific promise of the applicant, (c) suitability of the targeted biochemical system for simulation on Anton 3, (d) overall feasibility of the proposed studies, and (e) likely scientific impact. To the extent possible, the committee will target 25% of the total allotted time to be reserved for new users who were not principal investigators on proposals selected to receive simulation allotments that were awarded in previous rounds. The committee will prepare a brief publication summarizing its evaluations and identifying proposals that best meet the selection criteria for the project.

Contributors

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Sponsors

D. E. Shaw Research

Staff

Trisha Tucholski

Lead

Andrew Bremer

Dasia McKoy

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