期刊
JOURNAL OF CHEMICAL PHYSICS
卷 131, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3167797
关键词
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资金
- National Science Foundation [CHE-0628257]
- National Institutes of Health [5 F32 GM076839-02]
This work develops a method for the construction of multiscale coarse-grained (MS-CG) force fields at different temperatures based on available atomistic data at a given reference temperature. The validity of this theory is demonstrated numerically by applying it to construct MS-CG models of the Lennard-Jones liquid and simple point charge water model systems. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3167797]
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