FLUCTUATION-DISSIPATION THEOREM CONSISTENT APPROXIMATION OF THE LANGEVIN DYNAMICS MODEL

被引：3

作者：

Ma, Lina ^{[1
]}

Li, Xiantao ^{[1
]}

Liu, Chun ^{[1
]}

机构：

[1] Penn State Univ, Dept Math, University Pk, PA 16802 USA

来源：

COMMUNICATIONS IN MATHEMATICAL SCIENCES | 2017年 / 15卷 / 04期

关键词：

molecular dynamics; Langevin dynamics; fluctuation-dissipation theorem; NUMERICAL-INTEGRATION; MOLECULAR-DYNAMICS; ALGORITHMS; EQUATIONS;

D O I：

10.4310/CMS.2017.v15.n4.a13

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

We present a numerical method for solving the Langevin dynamics model. Rather than the trajectory-wise accuracy, we focus on the consistency to the equilibrium statistics at the discrete level. A discrete fluctuation-dissipation theorem is imposed to ensure that the statistical properties are preserved.

引用

页码：1171 / 1181

页数：11

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