Kinetic Monte Carlo (KMC) simulations are a powerful computational technique used to study the temporal evolution of complex systems, particularly in the field of catalysis. Unlike traditional molecular dynamics, which uses deterministic equations of motion, KMC relies on stochastic processes to model the sequence of events that occur over time. This approach is especially useful for simulating systems where events happen on disparate timescales, allowing researchers to study rare events and long-term behavior more efficiently.
