Underresolved simulations of heat baths

DOI10.1006/jcph.2001.6722zbMath0990.70003OpenAlexW2048089372MaRDI QIDQ5935511

Andrew M. Stuart, Begoña Cano

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

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) Numerical methods for Hamiltonian systems including symplectic integrators (65P10)

Related Items (4)

LANGEVIN MOLECULAR DYNAMICS DERIVED FROM EHRENFEST DYNAMICS ⋮ LONG-TERM BEHAVIOUR OF LARGE MECHANICAL SYSTEMS WITH RANDOM INITIAL DATA ⋮ Testing transition state theory on Kac-Zwanzig model ⋮ Fitting SDE models to nonlinear Kac-Zwanzig heat bath models

Cites Work

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• Nonlinear resonance artifacts in molecular dynamics simulations
• On the quantum Langevin equation
• Analysis and experiments for a computational model of a heat bath
• Optimal prediction of underresolved dynamics
• Long-Time-Step Methods for Oscillatory Differential Equations
• Optimal prediction and the Klein–Gordon equation
• Unresolved computation and optimal predictions
• Optimal prediction of stiff oscillatory mechanics
• Stiff oscillatory systems, delta jumps and white noise

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