Abstract
Presence of energy basins significantly slows down simulations with the kinetic Monte Carlo (kMC) method. Various methods of the kMC acceleration are available nowadays, but all of them require efficient energy basin finding algorithm. We present the algorithm providing significant acceleration of the kMC calculations. Use of the acceleration speeds up calculations and allows to reach experimental timescales in simulations. During the simulation of the Pt/Cu(111) surface alloy formation the acceleration is greater than 5000 times. Results of our simulation qualitatively agree with experiment.
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