MBO(N)D: A multibody method for long-tim
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Chun, Hon M.; Padilla, Carlos E.; Chin, Donovan N.; Watanabe, Masakatsu; Karlov,
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Article
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2000
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John Wiley and Sons
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English
⚖ 706 KB
A modeling approach that can significantly speed up the dynamics simulation of large molecular systems is presented herein. A multigranular modeling approach, whereby different parts of the molecule are modeled at different levels of detail, is enabled by substructuring. Substructuring the molecular