A class of nonparametric interatomic potentials

来源 :Workshop on "Multiscale Modeling and Analysis in Materials S | 被引量 : 0次 | 上传用户：zhangjianfa11

【摘要】

：

Multiscale methods are invaluable in many applications of molecular modelling,since direct simulations are often too restrictive.Designing accurate interaction

【作者】

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Alexander Shapeev

【机构】

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SkolkovoInstituteofScienceandTechnology

【出处】

：

Workshop on "Multiscale Modeling and Analysis in Materials S

【发表日期】

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2015年8期

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Multiscale methods are invaluable in many applications of molecular modelling,since direct simulations are often too restrictive.Designing accurate interaction potentials can be viewed as a model reduction problem within the framework of multiscale modelling,where a quantum mechanics model describing the matter at the subatomic scale is reduced to an atomistic model(describing the matter at the atomic scale).

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A class of nonparametric interatomic potentials

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