The term "kinetic Monte Carlo" (KMC) refers to a general class of simulation methods that use random numbers to model transient processes or phenomena (i.e. those with time-varying features). When based on the foundation of first-principles laws and statistical mechanics, these methods become powerful tools able to deliver deep understanding and predictive capability. This tutorial consists of a series of video lectures discussing the fundamental concepts of statistical mechanics underpinning KMC, as well as some algorithmic aspects pertaining to the graph-theoretical KMC and Zacros.
While setting up a simulation in Zacros is not difficult, it is important to have an understanding of the theory underpinning statistical mechanics and kinetic Monte Carlo (KMC). This series of lectures, which were first developed for the Thomas Young Centre Materials Modelling Course, provide an introduction to the relevant concepts.