A thermostat for molecular dynamics of complex fluids

DOI10.1080/08927020601052856zbMATH Open1118.81533arXivcond-mat/0606511OpenAlexW1990512280MaRDI QIDQ3445895FDOQ3445895

Michael P. Allen, Friederike Schmid

Publication date: 7 June 2007

Published in: Molecular Simulation (Search for Journal in Brave)

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.

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)

Cites Work

• Canonical ensembles from chaos
• Can such Long Time Steps Really be used in Dissipative Particle Dynamics Simulations?

Cited In (11)

• Molecular dynamics simulation of the inverted temperature gradient phenomenon
• Title not available (Why is that?)
• Multibaric–Multithermal Ensemble Simulation for Simple Liquids
• Compositional thermostatics
• Accurate and Efficient Splitting Methods for Dissipative Particle Dynamics
• Langevin thermostat for robust configurational and kinetic sampling
• A gentle stochastic thermostat for molecular dynamics
• Thermostats for ``slow configurational modes
• On the numerical treatment of dissipative particle dynamics and related systems
• Temperature-dependent dynamics of confinement
• Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics

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