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DOE OSTI · 981287

Molecular Science Computing: 2010 Greenbook

De Jong, Wibe A·Cowley, David E·Dunning, Thom H·Vorpagel, Erich R
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Abstract

This 2010 Greenbook outlines the science drivers for performing integrated computational environmental molecular research at EMSL and defines the next-generation HPC capabilities that must be developed at the MSC to address this critical research. The EMSL MSC Science Panel used EMSL’s vision and science focus and white papers from current and potential future EMSL scientific user communities to define the scientific direction and resulting HPC resource requirements presented in this 2010 Greenbook.

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97 MATHEMATICS AND COMPUTING99 GENERAL AND MISCELLANEOUSCOMPUTERIZED SIMULATIONENVIRONMENTAL PROTECTIONMOLECULESSUPERCOMPUTERS

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De Jong, Wibe A, Cowley, David E, Dunning, Thom H, Vorpagel, Erich R. 2010-04-02. Molecular Science Computing: 2010 Greenbook. https://doi.org/10.2172/981287

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