Thermostats: Difference between revisions
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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 | 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]]. | a thermostat that correctly samples the [[canonical ensemble]], for example, the [[Bussi-Donadio-Parrinello thermostat]]. | ||
==List of thermostats== | |||
*[[Andersen thermostat]] | *[[Andersen thermostat]] | ||
*[[Allen-Schmid thermostat]] | *[[Allen-Schmid thermostat]] | ||
Revision as of 14:03, 30 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–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)