The authors derive and benchmark Langevin-based thermostats, introducing BPCL, a Maxwell-element colored thermostat, and a momentum-conserving bin thermostat that preserves long-wavelength dynamics.
Nos´ e, A unified formulation of the constant tempera- ture molecular dynamics methods, The Journal of Chem- ical Physics81, 511–519 (1984)
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Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach
The authors derive and benchmark Langevin-based thermostats, introducing BPCL, a Maxwell-element colored thermostat, and a momentum-conserving bin thermostat that preserves long-wavelength dynamics.