Underresolved simulations of heat baths

DOI10.1006/JCPH.2001.6722MaRDI QIDQ5935511zbMATH OpenOpenAlexFDO

Authors Begoña Cano, A. M. Stuart

Publication date 2001

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

Full work available at URL https://semanticscholar.org/paper/37fa9dc1178d4dea9bfb15db200afa94c6f295bb

zbMATH Keywords

coupled oscillatorsdegeneration of memory kerneldelta singularityFord-Kac oscillatorlocal dampingmacroscopic limitmechanical heat bathparticle-bath dampingstiff oscillatory systemssymplectic integrationunderresolved simulations

Mathematics Subject Classification ID

Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Computational methods for problems pertaining to mechanics of particles and systems (70-08) Dynamics of a system of particles, including celestial mechanics (70F99) Nonlinear dynamics in mechanics (70K99)

Recommendations

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Cites work

• Analysis and experiments for a computational model of a heat bath
• scientific article; zbMATH DE number 3911357 (Why is no real title available?)
• scientific article; zbMATH DE number 3250158 (Why is no real title available?)
• Long-Time-Step Methods for Oscillatory Differential Equations
• Nonlinear resonance artifacts in molecular dynamics simulations
• On the quantum Langevin equation
• Optimal prediction and the Klein–Gordon equation
• Optimal prediction of stiff oscillatory mechanics
• Optimal prediction of underresolved dynamics
• Stiff oscillatory systems, delta jumps and white noise
• Unresolved computation and optimal predictions

Cited in

(8)

• Asymptotic and numerical analyses for mechanical models of heat baths
• Analysis and experiments for a computational model of a heat bath
• Langevin molecular dynamics derived from Ehrenfest dynamics
• scientific article; zbMATH DE number 956415 (Why is no real title available?)
• LONG-TERM BEHAVIOUR OF LARGE MECHANICAL SYSTEMS WITH RANDOM INITIAL DATA
• Physical Limits of Heat‐Bath Algorithmic Cooling
• Fitting SDE models to nonlinear Kac-Zwanzig heat bath models
• Testing transition state theory on Kac-Zwanzig model

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