Materials and Molecular Modeling at the Exascale.
Thomas W. KealAlin-Marin ElenaAlexey A. SokolKaren StonehamMatt I. J. ProbertClotilde S. CucinottaDavid J. WillockAndrew J. LogsdailAndrea ZenPhil J. HasnipIan J. BushMatthew B. WatkinsDario AlfèChris-Kriton SkylarisBasile F. E. CurchodQiong CaiScott M. WoodleyPublished in: Comput. Sci. Eng. (2022)