An Introduction to Kinetic Monte Carlo Simulations of Surface Reactions by A.P.J. Jansen
English | PDF | 2012 | 266 Pages | ISBN : 3642294871 | 3.7 MB
Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potential-energy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go.