Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach
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arXiv
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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2025
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| _version_ | 1866908412832382976 |
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| author | Agarwal, Shubham Sukhomlinov, Sergey V. Honecker, Marc Müser, Martin H. |
| author_facet | Agarwal, Shubham Sukhomlinov, Sergey V. Honecker, Marc Müser, Martin H. |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2506_15579 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach Agarwal, Shubham Sukhomlinov, Sergey V. Honecker, Marc Müser, Martin H. Statistical Mechanics Materials Science Soft Condensed Matter 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. |
| title | Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach |
| topic | Statistical Mechanics Materials Science Soft Condensed Matter |
| url | https://arxiv.org/abs/2506.15579 |