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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

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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
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:
DateEvent
2009Published
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

Data sourced from Thomson Reuters' Web of Knowledge

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