Local Temporal Acceleration Scheme to Couple Transport and Reaction Dynamics in Kinetic Monte Carlo Models of Electrochemical Systems.
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DOI: 10.1021/acs.jctc.1c01010
Abstract: Kinetic Monte Carlo (kMC) simulations are a well-established tool for investigating the operation of electrochemical systems. Standard kMC algorithms become unfeasible in the presence of processes on vastly different time scales. In electrochemical systems, such… read more here.
Keywords: kinetic monte; monte carlo; time; electrochemical systems ... See more keywords