Multi-Level Monte Carlo Path Integral Molecular Dynamics for Thermal Average Calculation in the Nonadiabatic Regime

DOI10.4208/NMTMA.OA-2020-0137zbMath1488.82028arXiv2006.09138OpenAlexW3122162287MaRDI QIDQ5017506

Xiaoyu Lei, Zhennan Zhou

Publication date: 17 December 2021

Published in: Numerical Mathematics: Theory, Methods and Applications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2006.09138

zbMATH Keywords

Langevin samplingmulti-level Monte Carlo methodpath integral molecular dynamicsthermal average

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Computational molecular dynamics in statistical mechanics (82M37) Monte Carlo methods applied to problems in statistical mechanics (82M31)

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