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July 28, 2002Annual Review of Physical Chemistry1,996 citations

TRANSITIONPATHSAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark

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PBPeter G. BolhuisDCDavid ChandlerCDChristoph Dellago

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Abstract

This article reviews the concepts and methods of transition path sampling. These methods allow computational studies of rare events without requiring prior knowledge of mechanisms, reaction coordinates, and transition states. Based upon a statistical mechanics of trajectory space, they provide a perspective with which time dependent phenomena, even for systems driven far from equilibrium, can be examined with the same types of importance sampling tools that in the past have been applied so successfully to static equilibrium properties.

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Bolhuis et al. (2002) studied this question.

synapsesocial.com/papers/69d6bccafca0359822aa82achttps://doi.org/10.1146/annurev.physchem.53.082301.113146
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