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Investigating Rare Events by Transition Interface Sampling

Daniele Moroni, Titus S. van Erp, Peter G. Bolhuis

cond-mat.stat-mecharXiv:cond-mat/0311571

Abstract

We briefly review simulation schemes for the investigation of rare transitions and we 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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