Variational path sampling of rare dynamical events
Fuente:
arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| Soggetti: | |
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| _version_ | 1866929696928694272 |
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| author | Singh, Aditya N. Das, Avishek Limmer, David T. |
| author_facet | Singh, Aditya N. Das, Avishek Limmer, David T. |
| contents | This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space and leveraging the theory of large deviations, they provide a perspective with which dynamical phenomena can be studied with the same types of ensemble reweighting ideas that have been used for static equilibrium properties. Applications to chemical, material, and biophysical systems are highlighted. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2502_01852 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Variational path sampling of rare dynamical events Singh, Aditya N. Das, Avishek Limmer, David T. Chemical Physics Statistical Mechanics This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space and leveraging the theory of large deviations, they provide a perspective with which dynamical phenomena can be studied with the same types of ensemble reweighting ideas that have been used for static equilibrium properties. Applications to chemical, material, and biophysical systems are highlighted. |
| title | Variational path sampling of rare dynamical events |
| topic | Chemical Physics Statistical Mechanics |
| url | https://arxiv.org/abs/2502.01852 |