Using incomplete Cholesky factorization to increase the time step in molecular dynamics simulations

Takumi Washio, Xiaoke Cui, Ryo Kanada, Jun-ichi Okada, Seiryo Sugiura, Yasushi Okuno, Shoji Takada, Toshiaki Hisada. Using incomplete Cholesky factorization to increase the time step in molecular dynamics simulations. J. Computational Applied Mathematics, 415:114519, 2022. [doi]

Abstract

Abstract is missing.