MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithms

Yoshimichi Andoh; Noriyuki Yoshii; Kazushi Fujimoto; Keisuke Mizutani; Hidekazu Kojima; Atsushi Yamada; Susumu Okazaki; Kazutomo Kawaguchi; Hidemi Nagao; Kensuke Iwahashi; Fumiyasu Mizutani; Kazuo Minami; Shin-ichi Ichikawa; Hidemi Komatsu; Shigeru Ishizuki; Yasuhiro Takeda; Masao Fukushima; Yoshimichi Andoh; Noriyuki Yoshii; Kazushi Fujimoto; Keisuke Mizutani; Hidekazu Kojima; Atsushi Yamada; Susumu Okazaki; Kazutomo Kawaguchi; Hidemi Nagao; Kensuke Iwahashi; Fumiyasu Mizutani; Kazuo Minami; Shin-ichi Ichikawa; Hidemi Komatsu; Shigeru Ishizuki; Yasuhiro Takeda; Masao Fukushima

doi:10.1021/ct400203a

MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithms

Yoshimichi Andoh, Noriyuki Yoshii, Kazushi Fujimoto, Keisuke Mizutani, Hidekazu Kojima, Atsushi Yamada, Susumu Okazaki, Kazutomo Kawaguchi, Hidemi Nagao, Kensuke Iwahashi, Fumiyasu Mizutani, Kazuo Minami, Shin-ichi Ichikawa, Hidemi Komatsu, Shigeru Ishizuki, Yasuhiro Takeda, Masao Fukushima.

Journal of Chemical Theory and Computation 9 [7] 3201-3209. 2013.

https://doi.org/10.1021/ct400203a

NIMS author(s)

ANDOH, Yoshimichi

Fulltext and dataset(s) on Materials Data Repository (MDR)

Created at: 2020-12-18 16:50:33 +0900 Updated at: 2026-10-07 05:12:54 +0900