Multi-physics extension of OpenFMO framework

Toshiya Takami, Jun Maki, Jun'ichi Ooba, Yuuichi Inadomi, Hiroaki Honda, Ryutaro Susukita, Koji Inoue, Taizo Kobayashi, Rie Nogita, Mutsumi Aoyagi

研究成果: Chapter in Book/Report/Conference proceedingConference contribution

5 被引用数 (Scopus)

抄録

OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the subsequent development planning corresponding to MPS is presented. It is discussed which should be selected as a scientific software, lightweight and reconfigurable form or large and self-contained form.

本文言語英語
ホスト出版物のタイトルComputation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
ページ122-125
ページ数4
2
DOI
出版ステータス出版済み - 2007
イベントInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, ギリシャ
継続期間: 9 25 20079 30 2007

出版物シリーズ

名前AIP Conference Proceedings
番号2
963
ISSN(印刷版)0094-243X
ISSN(電子版)1551-7616

その他

その他International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
Countryギリシャ
CityCorfu
Period9/25/079/30/07

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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