Mean Field Approximation in Conformation Dynamics

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 01 Jan 2009Embargo end date: 01 Jul 2009 English Publisher:Society for Industrial & Applied Mathematics (SIAM)Journal:Multiscale Modeling & Simulation, volume 8, pages 254-268 (issn: 1540-3459, eissn: 1540-3467,

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Authors: Gero Friesecke; Oliver Junge; Péter Koltai;

doi: 10.1137/080745262 , 10.48550/arxiv.0907.1844

arXiv: 0907.1844

Mean Field Approximation in Conformation Dynamics

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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.

Keywords

Numerical Analysis, FOS: Mathematics, FOS: Physical sciences, 65P99; 37M25; 41A63, Numerical Analysis (math.NA), Mathematical Physics (math-ph), Mathematical Physics

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