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A quantitative study on the approximation error and speed-up of the multi-scale MCMC (Monte Carlo Markov chain) method for molecular dynamics

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Publication:2675585
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DOI10.1016/j.jcp.2022.111491OpenAlexW4286508888WikidataQ114163222 ScholiaQ114163222MaRDI QIDQ2675585

Qinglin Tang, Tao Zhang, Shuyu Sun, Dingguo Xu, Jie Liu, Jisheng Kou

Publication date: 24 September 2022

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2022.111491


zbMATH Keywords

Monte Carlo methodcoarseningmolecular dynamicsmulti-scale method


Mathematics Subject Classification ID

Turbulence (76Fxx) Basic methods in fluid mechanics (76Mxx) Probabilistic methods, stochastic differential equations (65Cxx)


Related Items (1)

Energy landscape analysis for two-phase multi-component NVT flash systems by using ETD type high-index saddle dynamics



Cites Work

  • Monte Carlo technique for prediction and filtering of non-linear stochastic processes
  • Probability density function/Monte Carlo simulation of near-wall turbulent flows
  • The Monte Carlo Method


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