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Stochastic thermostats: comparison of local and global schemes

Authors :
Bussi, Giovanni
Parrinello, Michele
Source :
G. Bussi and M. Parrinello, Comp. Phys. Comm. 179, 26 (2008)
Publication Year :
2008

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.<br />Comment: To appear on Computer Physics Communications

Details

Database :
arXiv
Journal :
G. Bussi and M. Parrinello, Comp. Phys. Comm. 179, 26 (2008)
Publication Type :
Report
Accession number :
edsarx.0803.4397
Document Type :
Working Paper
Full Text :
https://doi.org/10.1016/j.cpc.2008.01.006