A thermostat for molecular dynamics of complex fluids

DOI10.1080/08927020601052856zbMATH Open1118.81533OpenAlexW1990512280MaRDI QIDQ3445895FDOQ3445895

Authors Michael P. Allen, Friederike Schmid

Publication date 7 June 2007

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/cond-mat/0606511

zbMATH Keywords

canonical ensembledissipative particle dynamicsthermostatnonequilibrium molecular dynamicsGalilean-invariantNosé-Hoover

Mathematics Subject Classification ID

Molecular physics (81V55)

Abstract: A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative Particle Dynamics simulations, as well as nonequilibrium molecular dynamics simulations.

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