Approximation of Transition State Theory Rates by Spatial Coarse-Graining

来源 :Workshop on "Multiscale Problems from Physics, Biology and M | 被引量 : 0次 | 上传用户：mumurong

【摘要】

：

Spatial multiscale methods have been useful for extending the length scales accessible by conventional molecular dynamics at zero temperature.Recently,extension

【作者】

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Mitchell Luskin

【机构】

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UniversityofMinnesota,USA

【出处】

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Workshop on "Multiscale Problems from Physics, Biology and M

【发表日期】

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2014年5期

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Spatial multiscale methods have been useful for extending the length scales accessible by conventional molecular dynamics at zero temperature.Recently,extensions of these spatial multiscale methods such as the finite-temperature quasicontinuum (hot-QC) methods have been used to allow for molecular dynamics simulations at finite temperature.

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Approximation of Transition State Theory Rates by Spatial Coarse-Graining

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