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Coarse-graining of overdamped Langevin dynamics via the Mori-Zwanzig formalism
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Hudson, Thomas E. (Edward) and Li, Xingjie Helen (2020) Coarse-graining of overdamped Langevin dynamics via the Mori-Zwanzig formalism. Multiscale Modeling & Simulation: a SIAM Interdisciplinary Journal .
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Abstract
The Mori–Zwanzig formalism is applied to derive an equation for the evolution of linear observables of the overdamped Langevin equation. To illustrate the resulting equation and its use in deriving approximate models, a particular benchmark example is studied both numerically and via a formal asymptotic expansion. The example considered demonstrates the importance of memory effects in determining the correct temporal behaviour of such systems.
| Item Type: | Journal Article | ||||||||||||
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| Subjects: | Q Science > QA Mathematics Q Science > QP Physiology |
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| Divisions: | Faculty of Science > Mathematics | ||||||||||||
| Library of Congress Subject Headings (LCSH): | Stochastic processes, Langevin equations, Molecular dynamics -- Mathematical models | ||||||||||||
| Journal or Publication Title: | Multiscale Modeling & Simulation: a SIAM Interdisciplinary Journal | ||||||||||||
| Publisher: | World Scientific Publishing Co. Pte. Ltd. | ||||||||||||
| ISSN: | 1540-3459 | ||||||||||||
| Official Date: | 12 February 2020 | ||||||||||||
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| Date of first compliant deposit: | 6 April 2020 | ||||||||||||
| Status: | Peer Reviewed | ||||||||||||
| Publication Status: | Forthcoming | ||||||||||||
| Publisher Statement: | “First Published in Multiscale Modeling & Simulation: a SIAM Interdisciplinary Journal in [volume and number, or year], published by the Society for Industrial and Applied Mathematics (SIAM)” | ||||||||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||||||||
| Copyright Holders: | Copyright © by SIAM. Unauthorized reproduction of this article is prohibited. | ||||||||||||
| RIOXX Funder/Project Grant: |
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