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 oscillatorsequilibrium phase-space densityLangevin equationssimulate quantum-mechanical effects

Mathematics Subject Classification ID

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

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

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