Analysis of the backward-euler/langevin method for molecular dynamics

DOI10.1002/CPA.3160430503MaRDI QIDQ3210680zbMATH OpenOpenAlexFDO

Authors Charles S. Peskin

Publication date 1990

Published in Communications on Pure and Applied Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1002/cpa.3160430503

zbMATH Keywords

coupled harmonic oscillatorsLangevin equationsequilibrium phase-space densitysimulate quantum-mechanical effects

Mathematics Subject Classification ID

Probabilistic methods, stochastic differential equations (65C99) Applications of Brownian motions and diffusion theory (population genetics, absorption problems, etc.) (60J70) General quantum mechanics and problems of quantization (81S99) Other physical applications of random processes (60K40) Applications of quantum theory to specific physical systems (81V99)

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• Error analysis of modified Langevin dynamics
• Ordinary differential equations of molecular dynamics
• Molecular dynamics by the Backward‐Euler method
• Langevin molecular dynamics derived from Ehrenfest dynamics

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