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This review article is intended as a practical guide for newcomers to the field of kinetic Monte Carlo (KMC) simulations, and specifically to lattice KMC simulations as prevalently used for surface and interface applications.
7 Ιαν 2024 · Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is...
5 Απρ 2019 · This review article is intended as a practical guide for newcomers to the eld of kinetic Monte Carlo (KMC) simulations, and speci cally to lattice KMC simulations as prevalently used for surface and interface applications.
The Kinetic Monte Carlo Approach. Instead of simulating dynamics, KMC1 focuses on rare events. Simulates reactions much faster than Molecular Dynamics. Incorporates spatial information contrary to micro-kinetic models2. M. Neurock and E. W. Hansen, Comput. Chem.
30 Ιαν 2022 · Monte Carlo Simulation (or Method) is a probabilistic numerical technique used to estimate the outcome of a given, uncertain (stochastic) process. This means it’s a method for simulating events that cannot be modelled implicitly.
First, it is a primer on the kMC method (predominantly using the lattice-gas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics.
1 Introduction. This course covers (mostly) basic + somewhat more advanced Monte Carlo sim-ulation methods used in physics. In particular, what we shall mostly concentrate on are statistical lattice MC simulations. The course is method-oriented; thus, emphasis is on understanding and creating.
