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 …

The kinetic Monte Carlo (KMC) method is a Monte Carlo method computer simulation intended to simulate the time evolution of some processes occurring in nature. Typically these are …

Jul 1, 2014 · To this end we describe the versatile kmos software package, which offers a most user-friendly implementation, execution, and evaluation of lattice kMC models of arbitrary …

KMCLib is a general framework for lattice kinetic Monte Carlo (KMC) simulations, to simulate the time evolution of systems of up to millions of particles in one, two or three dimensions.

Jan 21, 2014 · To this end we describe the versatile kmos software package, which offers a most user-friendly implementation, execution, and evaluation of lattice kMC models of arbitrary …

In this article, we use a KLMC simulator to investigate vacancy-mediated Si–Ge interdiffusion in strained SiGe al-loys. The simulations use an augmented discrete lattice struc-ture and …

Sep 15, 2016 · By applying the lattice kinetic Monte Carlo simulation on gold films, we found that the atomic diffusion of Au on the Au (111) surface undergoes a late transition state with an …

Jan 17, 2011 · In this paper, we present lattice-based kinetic Monte-Carlo simulations of FePt nanoparticles that reveal the influence of free surfaces, bulk vacancies and interaction with a …

kmos is being developed in the context of heterogeneous catalysis but might be of use in other applications as well. kmos wants to enable you to create first-principles kinetic Monte Carlo …

We will use KMC to consider vacancy mediated diffusion, in which a vacancy undergoes a “random walk” through a discrete atomic lattice. The vacancy moves by swapping locations …