TY - GEN
T1 - Multi-physics extension of OpenFMO framework
AU - Takami, Toshiya
AU - Maki, Jun
AU - Ooba, Jun'ichi
AU - Inadomi, Yuuichi
AU - Honda, Hiroaki
AU - Susukita, Ryutaro
AU - Inoue, Koji
AU - Kobayashi, Taizo
AU - Nogita, Rie
AU - Aoyagi, Mutsumi
PY - 2007
Y1 - 2007
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=71449084569&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=71449084569&partnerID=8YFLogxK
U2 - 10.1063/1.2835969
DO - 10.1063/1.2835969
M3 - Conference contribution
AN - SCOPUS:71449084569
SN - 9780735404786
T3 - AIP Conference Proceedings
SP - 122
EP - 125
BT - Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
T2 - International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
Y2 - 25 September 2007 through 30 September 2007
ER -