Stochastic thermostats: comparison of local and global schemes
Computational Physics
2008-06-06 v1 Statistical Mechanics
Abstract
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.
Keywords
Cite
@article{arxiv.0803.4397,
title = {Stochastic thermostats: comparison of local and global schemes},
author = {Giovanni Bussi and Michele Parrinello},
journal= {arXiv preprint arXiv:0803.4397},
year = {2008}
}
Comments
To appear on Computer Physics Communications