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Choice of damping coefficient in Langevin dynamics
The European Physical Journal B ( IF 1.6 ) Pub Date : 2021-09-07 , DOI: 10.1140/epjb/s10051-021-00182-z Robert D. Skeel 1 , Carsten Hartmann 2
中文翻译:
朗之万动力学中阻尼系数的选择
更新日期:2021-09-08
The European Physical Journal B ( IF 1.6 ) Pub Date : 2021-09-07 , DOI: 10.1140/epjb/s10051-021-00182-z Robert D. Skeel 1 , Carsten Hartmann 2
Affiliation
Abstract
This article considers the application of Langevin dynamics to sampling and investigates how to choose the damping parameter in Langevin dynamics for the purpose of maximizing thoroughness of sampling. Also, it considers the computation of measures of sampling thoroughness.
Graphic abstract
中文翻译:
朗之万动力学中阻尼系数的选择
摘要
本文考虑了朗之万动力学在采样中的应用,并研究了如何选择朗之万动力学中的阻尼参数,以最大限度地提高采样的彻底性。此外,它还考虑了采样彻底性度量的计算。