Scaling molecular dynamics beyond 100,000 processor cores for large-scale biophysical simulations
将分子动力学扩展到超过 10 万个处理器核心,用于大规模生物物理模拟
期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.25840
Jung, Jaewoon; Nishima, Wataru; Daniels, Marcus; Bascom, Gavin; Kobayashi, Chigusa; Adedoyin, Adetokunbo; Wall, Michael; Lappala, Anna; Phillips, Dominic; Fischer, William; Tung, Chang-Shung; Schlick, Tamar; Sugita, Yuji; Sanbonmatsu, Karissa Y