Stochastic thermostats: comparison of local and global schemes

Details Stochastic thermostats: comparison of local and global schemes Stochastic thermostats: comparison of local and global schemes

2008-03-31

arxiv.org/abs/0803.4397v1

G. Bussi and M. Parrinello, Comp. Phys. Comm. 179, 26 (2008)

Physics

Computational Physics

To appear on Computer Physics Communications

Scientific paper

10.1016/j.cpc.2008.01.006

We show that a recently introduced stochastic thermostat [J. Chem. Phys. 126 (2007) 014101] can be considered as a global version of the Langevin thermostat. We compare the global scheme and the local one (Langevin) from a formal point of view and through practical calculations on a model Lennard-Jones liquid. At variance with the local scheme, the global thermostat preserves the dynamical properties for a wide range of coupling parameters, and allows for a faster sampling of the phase-space.

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