KMC is crucial in catalysis because it allows researchers to understand and predict the behavior of catalytic systems at the atomic level. Traditional methods, like continuum models or mean-field approximations, often fail to account for the inherent randomness and discrete nature of catalytic processes. KMC, on the other hand, provides a more precise and detailed description of how these processes occur over time, enabling the optimization of catalyst performance and the design of more efficient catalytic systems.
