Jaewoon Jung, Wataru Nishima, Marcus Daniels, Gavin Bascom, Chigusa Kobayashi, Adetokunbo Adedoyin, Michael Wall, Anna Lappala, Dominic Phillips, William Fischer, Chang-Shung Tung, Tamar Schlick, Yuji Sugita, Karissa Y. Sanbonmatsu. Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations. Journal of Computational Chemistry, 40(21):1919-1930, 2019. [doi]
Abstract is missing.