title: Advantages of a Lowe-Andersen thermostat in molecular dynamics simulations.
abstract: The Lowe-Andersen thermostat is a momentum conserving and Galilean invariant analog of the Andersen thermostat. Like the Andersen thermostat it has the advantage of being local. We show that by using a minimal thermostat interaction radius in a molecular dynamics simulation, it perturbs the system dynamics to a far lesser extent than the Andersen method. This alleviates a well known drawback of the Andersen thermostat by allowing high thermostatting rates without the penalty of significantly suppressed diffusion in the system.
authors.affiliation: Van 't Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands. ekoopman@science.uva.nl
authors.forename: E A
authors.initials: EA
authors.lastname: Koopman
authors.forename: C P
authors.initials: CP
authors.lastname: Lowe