A Projective Thermostatting Dynamics Technique

DOI10.1137/040603863zbMath1100.82008OpenAlexW1976950088MaRDI QIDQ5695941

Zhidong Jia, Benedict J. Leimkuhler

Publication date: 6 October 2005

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://semanticscholar.org/paper/cc145e6bfac374942e5ca2a6e9f7d80f881b4214

zbMATH Keywords

Hamiltonian systemssymplectic integratorthermostatslow dynamicsnonequilibrium dynamicscanonical samplingNosé-Hooverconstant temperature molecular dynamicstime reversibleadiabatic separationmultiple timescale simulationNosé-Poincaréreversible averaging

Mathematics Subject Classification ID

Computational methods for problems pertaining to mechanics of particles and systems (70-08) Hamilton's equations (70H05) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Statistical thermodynamics (82B30)

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