Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics: Twelfth Round (2021)
Chapter: Appendix C: Statement of Task
APPENDIX C
STATEMENT OF TASK
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 twelfth committee of experts to review proposals for allocations of time to conduct molecular dynamics (MD) simulations of biological molecules using an “Anton” 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 the PSC machine; (d) overall feasibility of the proposed studies; and (e) likely scientific impact. At least 25% of the total allotted time will be reserved for new users who were not principal investigators on proposals selected to receive simulation allotments on the Anton awarded in the previous rounds. The committee will prepare a brief report summarizing its evaluations and identifying proposals that best meet the selection criteria for the project.
