Multi-physics Extension of OpenFMO Framework

International Conference of Computational Methods in Sciences and Enginnering 2007 (ICCMSE 2007) : 25-30 September 2007 : Hotel Marbella (Agios Ioannis Peristeron, Corfu), GreeceOpenFMO 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

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.International Conference of Computational Methods in Sciences and Enginnering 2007 (ICCMSE 2007) : 25-30 September 2007 : Hotel Marbella (Agios Ioannis Peristeron, Corfu), Greec