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Investigating Rare Events by Transition Interface Sampling

Daniele Moroni·Titus S. van Erp·Peter G. Bolhuis
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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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Daniele Moroni, Titus S. van Erp, Peter G. Bolhuis. 2003-11-25. Investigating Rare Events by Transition Interface Sampling. https://doi.org/10.1016/j.physa.2004.04.033

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