Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations.
Jaewoon JungWataru NishimaMarcus DanielsGavin BascomChigusa KobayashiAdetokunbo AdedoyinMichael E. WallAnna LappalaDominic PhillipsWilliam FischerChang-Shung TungTamar SchlickYuji SugitaKarissa Y. SanbonmatsuPublished in: J. Comput. Chem. (2019)