Stochastic thermostats: comparison of local and global schemes

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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.
To appear on Computer Physics Communications

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Computational Physics, Statistical Mechanics

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http://salesiana.dossiersoluciones.com/handle/123456789/162307

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/0803.4397
 http://arxiv.org/abs/0803.4397
 G. Bussi and M. Parrinello, Comp. Phys. Comm. 179, 26 (2008)
 doi:10.1016/j.cpc.2008.01.006

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arXiv