Markov State Models for Rare Events in Molecular Dynamics

Markov State Models for Rare Events in Molecular Dynamics

Rare, but important, transition events between long-lived states are a key feature of many molecular systems. In many cases, the computation of rare event statistics by direct molecular dynamics (MD) simulations is infeasible, even on the most powerful computers, because of the immensely long simula...

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Bibliographic Details
Main Authors: Marco Sarich, Ralf Banisch, Carsten Hartmann, Christof Schütte
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Entropy
Subjects:
rare events
Markov State Models
long timescales
optimal control
Online Access:http://www.mdpi.com/1099-4300/16/1/258

Internet

http://www.mdpi.com/1099-4300/16/1/258

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