Title: Investigating rare events by transition interface sampling
Authors: Moroni, D ×
Van Erp, Titus
Bolhuis, PG #
Issue Date: Sep-2004
Publisher: Elsevier science bv
Series Title: Physica a-statistical mechanics and its applications vol:340 issue:1-3 pages:395-401
Abstract: 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. (C) 2004 Elsevier B.V. All rights reserved.
ISSN: 0378-4371
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Centre for Surface Chemistry and Catalysis
× corresponding author
# (joint) last author

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