Multi-physics Extension of OpenFMO Framework

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.

• Type: Journal
• Year: 2007
• Where: CORR
• Authors: Toshiya Takami, Jun Maki, Jun-ichi Ooba, Yuichi Inadomi, Hiroaki Honda, Ryutaro Susukita, Koji Inoue, Taizo Kobayashi, Rie Nogita, Mutsumi Aoyagi
• Keywords: CORR 2007, Education, FMO Implementations, Fragment Molecular Orbital, OpenFMO Framework