第13回 配信講義 計算科学技術特論A（2021）

第13回　7月8日（木）Parallelization of Molecular Dynamics(分子動力学法の並列化)
Molecular dynamics (MD) is a very useful tool to understand various phenomena in atomistic detail. In MD, we can overcome the size- and time-scale problems by efficient parallelization. In this lecture, I’ll explain various parallelization methods of MD with some examples of GENESIS MD software optimization on Fugaku.