Characterization of Rare Events in Molecular Dynamics

Characterization of Rare Events in Molecular Dynamics

A good deal of molecular dynamics simulations aims at predicting and quantifying rare events, such as the folding of a protein or a phase transition. Simulating rare events is often prohibitive, especially if the equations of motion are high-dimensional, as is the case in molecular dynamics. Various...

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Bibliographic Details
Main Authors: Carsten Hartmann, Ralf Banisch, Marco Sarich, Tomasz Badowski, Christof Schütte
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Entropy
Subjects:
rare events
molecular dynamics
optimal pathways
stochastic control
dynamic programming
change of measure
cumulant generating function
Online Access:http://www.mdpi.com/1099-4300/16/1/350

Internet

http://www.mdpi.com/1099-4300/16/1/350

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