Repository: Freie Universit├Ąt Berlin, Math Department

Estimating exit rate for rare event dynamical systems by extrapolation

Quer, J. and Weber, M. (2016) Estimating exit rate for rare event dynamical systems by extrapolation. ZIB-Report . pp. 1-19. ISSN 2192-7782 (online)

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Abstract

In this article we present an idea to speed up the sampling exit of rates from metastable molecular conformations. The idea is based on flattening the energy landscape by a global transformation which decreases the energy barrier. In this matter we create different energy surfaces in which we sample the exit rate and use these to extrapolate the exit rate for the original potential. Because of the lower energy barrier the sampling is computationally cheaper and also the variance of the estimators for the exit rate in the transformed energy landscape is smaller.

Item Type:Article
Additional Information:SFB 1114 Preprint: 11/2016
Subjects:Mathematical and Computer Sciences > Mathematics > Applied Mathematics
Divisions:Department of Mathematics and Computer Science > Institute of Mathematics > BioComputing Group
ID Code:2126
Deposited By: Silvia Hoemke
Deposited On:07 Nov 2017 09:02
Last Modified:07 Nov 2017 09:02

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