This work demonstrates superior thermostats and extends their application to rheology, suggesting improvements over kinetic-energy controls.
The Langevin equation accounts for unresolved bath degrees of freedom driving the system toward the bath temperature. Because of this, numerical solutions of the Langevin equation have a long history. Here, we recapitulate, combine, and extend existing Langevin-equation based thermostats, scrutinize their properties and demonstrate their superiority over global kinetic-energy controls. Our work includes compact, asymptotic-analysis based derivations of stochastic thermostats, including the highly accurate Grønbech-Jensen scheme. Proposed extensions include a precise, colored and a lean, momentum-conserving thermostat.
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Agarwal et al. (2025) studied this question.
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