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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationComputation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
Pages122-125
Number of pages4
Edition2
DOIs
Publication statusPublished - Dec 1 2007
EventInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, Greece
Duration: Sep 25 2007Sep 30 2007

Publication series

NameAIP Conference Proceedings
Number2
Volume963
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
CountryGreece
CityCorfu
Period9/25/079/30/07

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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    Takami, T., Maki, J., Ooba, J., Inadomi, Y., Honda, H., Susukita, R., Inoue, K., Kobayashi, T., Nogita, R., & Aoyagi, M. (2007). Multi-physics extension of OpenFMO framework. In Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007) (2 ed., pp. 122-125). (AIP Conference Proceedings; Vol. 963, No. 2). https://doi.org/10.1063/1.2835969