Investigating rare events by transition interface sampling

We briefly review simulation schemes for the investigation of rare transitions and resume the recently introduced transition interface sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.

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Bibliographic Details
Published in:	Physica A Vol. 340; no. 1; pp. 395 - 401
Main Authors:	Moroni, Daniele, van Erp, Titus S., Bolhuis, Peter G.
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01-09-2004
Subjects:	Rare events Rate constants Transition path sampling Rare events Rate constants 82.20.Sb 82.20.Db Transition path sampling
Online Access:	Get full text
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Description
Summary:	We briefly review simulation schemes for the investigation of rare transitions and resume the recently introduced transition interface sampling, a method in which the computation of rate constants is recast into the computation of fluxes through interfaces dividing the reactant and product state.
ISSN:	0378-4371 1873-2119
DOI:	10.1016/j.physa.2004.04.033