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» Adaptive Application Composition in Quantum Chemistry
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QOSA
2009
Springer
13 years 11 months ago
Adaptive Application Composition in Quantum Chemistry
Abstract. Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientific computing. ...
Li Li, Joseph P. Kenny, Meng-Shiou Wu, Kevin A. Hu...
IPPS
2010
IEEE
13 years 2 months ago
Enhancing adaptive middleware for quantum chemistry applications with a database framework
Quantum chemistry applications such as the General Atomic and Molecular Electronic Structure System (GAMESS) that can execute on a complex peta-scale parallel computing environment...
Lakshminarasimhan Seshagiri, Meng-Shiou Wu, Masha ...
ICPPW
2006
IEEE
13 years 10 months ago
Dynamic Algorithm Selection in Parallel GAMESS Calculations
Applications augmented with adaptive capabilities are becoming common in parallel computing environments which share resources such as main memory, network, or disk I/O. For large...
Nurzhan Ustemirov, Masha Sosonkina, Mark S. Gordon...