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

doi:10.1021/ct400203a

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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著者

安藤嘉倫

Materials Data Repository (MDR)上の本文・データセット

作成時刻: 2020-12-18 16:50:33 +0900更新時刻: 2024-04-02 01:57:48 +0900