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Mean field approximation in conformation dynamics
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Friesecke, Gero, Junge, Oliver and Koltai, Peter (2009) Mean field approximation in conformation dynamics. Multiscale Modeling & Simulation, Vol.8 (No.1). pp. 254-268. doi:10.1137/080745262
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Official URL: http://dx.doi.org/10.1137/080745262
Abstract
We propose a new approach to the transfer operator based analysis of the conformation dynamics of molecules. It is based on a statistical independence ansatz for the eigenfunctions of the operator related to a partitioning into subsystems. Numerical tests performed on small systems show excellent qualitative agreement between mean field and exact model, at greatly reduced computational cost.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QA Mathematics Q Science > QC Physics |
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| Divisions: | Faculty of Science > Mathematics | ||||
| Journal or Publication Title: | Multiscale Modeling & Simulation | ||||
| Publisher: | World Scientific Publishing Co. Pte. Ltd. | ||||
| ISSN: | 1540-3459 | ||||
| Official Date: | 2009 | ||||
| Dates: |
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| Volume: | Vol.8 | ||||
| Number: | No.1 | ||||
| Number of Pages: | 15 | ||||
| Page Range: | pp. 254-268 | ||||
| DOI: | 10.1137/080745262 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Funder: | Bavarian State Ministry of Sciences, Research and Arts |
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