Thermostats: Difference between revisions
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JuanManuel (talk | contribs) (Added entry for the Nosé-Hoover-Langevin thermostat) |
JuanManuel (talk | contribs) (Added a link to a paper that discusses the efficiency of a class of thermostatting methods.) |
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*[http://dx.doi.org/10.1063/1.3486092 Denis J. Evans, Debra J. Searles, and Stephen R. Williams "Musings on thermostats", Journal of Chemical Physics '''133''' 104106 (2010)] | *[http://dx.doi.org/10.1063/1.3486092 Denis J. Evans, Debra J. Searles, and Stephen R. Williams "Musings on thermostats", Journal of Chemical Physics '''133''' 104106 (2010)] | ||
[[category: Molecular dynamics]] | [[category: Molecular dynamics]] | ||
*[http://dx.doi.org/10.1007/s10955-011-0210-2 Benedict Leimkuhler, Emad Noorizadeh, and Oliver Penrose "Comparing the Efficiencies of Stochastic Isothermal Molecular Dynamics Methods", Journal of Statistical Physics '''143''' pp. 921-942 (2011)] [[category: Molecular dynamics]] | |||
Revision as of 12:44, 31 May 2012
The following is a list of thermostats used to maintain (more or less) constant the average temperature in molecular dynamics simulations. Note that thermostats may introduce artificial behaviour into the system so one has to be careful. It is probably worthwhile using a thermostat that correctly samples the canonical ensemble, for example, the Bussi-Donadio-Parrinello thermostat.
List of thermostats
- Andersen thermostat
- Allen-Schmid thermostat
- Berendsen thermostat
- Bussi-Donadio-Parrinello thermostat
- Colored-noise thermostat
- Dissipative particle dynamics
- Evans-Morriss thermostat
- Gaussian thermostat
- Langevin thermostat
- Lowe-Andersen thermostat
- Nosé-Hoover thermostat
- Nosé-Hoover-Langevin thermostat
- Nosé–Poincaré thermostat
- Path integral Langevin equation thermostat
- Stoyanov-Groot thermostat
Related reading
- Philippe H. Hünenberger "Thermostat Algorithms for Molecular Dynamics Simulations", in "Advanced Computer Simulation: Approaches for Soft Matter Sciences I" Advances in Polymer Science 173 pp. 105-149 (2005)
- Denis J. Evans, Debra J. Searles, and Stephen R. Williams "Musings on thermostats", Journal of Chemical Physics 133 104106 (2010)
- Benedict Leimkuhler, Emad Noorizadeh, and Oliver Penrose "Comparing the Efficiencies of Stochastic Isothermal Molecular Dynamics Methods", Journal of Statistical Physics 143 pp. 921-942 (2011)