This letter details the work and transmits the final report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics. The committee evaluated submissions in response to a Request for Proposals (RFP) for Biomolecular Simulation Time on Anton, a specialized supercomputer designed and constructed by D.E. Shaw Research that allows for dramatically accelerated molecular dynamics simulations. D.E. Shaw is making time on a 512 node Anton machine available to the non-commercial research community without cost.
The goal of the RFP for Biomolecular Simulation Time on Anton is to facilitate breakthrough science in the study of biomolecular systems by providing access to a dedicated, massively parallel supercomputer that allows significantly faster simulations of biomolecular systems using periodic boundary conditions and explicit solvent models. Anton's capabilities allow questions to be addressed on multi-microsecond simulation timescales, so the program seeks to support projects addressing important and potentially high impact questions that would be most advanced by receiving time on this specialized machine.