Multi-physics Extension of OpenFMO Framework

Details Multi-physics Extension of OpenFMO Framework Multi-physics Extension of OpenFMO Framework

2007-07-18

arxiv.org/abs/0707.2630v1

AIP Conf. Proc. 963, 122-125 (2007)

Computer Science

Distributed, Parallel, and Cluster Computing

4 pages with 11 figure files, to appear in the Proceedings of ICCMSE 2007

Scientific paper

10.1063/1.2835969

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.

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