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Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach

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arxiv 2506.15579 v1 pith:5DFYH3YH submitted 2025-06-18 cond-mat.stat-mech cond-mat.mtrl-scicond-mat.soft

Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach

classification cond-mat.stat-mech cond-mat.mtrl-scicond-mat.soft
keywords langevinthermostatsbathequationextensionsleanmomentum-conservingproperties
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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 Gr{\o}nbech-Jensen scheme. Proposed extensions include a precise, colored and a lean, momentum-conserving thermostat.

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