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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. KMCLib is organized as a collection of Python frontend functions, classes and interfaces for performing efficient lattice KMC simulations, with all ...
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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. KMCLib is organized as a collection of Python frontend functions, classes and interfaces for performing efficient lattice KMC simulations, with all ...
20 Ιουλ 2023 · This package includes a local cluster expansion model toolkit, a rejection-free kinetic Monte Carlo (rf-kMC) solver, and several python classes to extract ion transport properties such as diffusivities and conductivities.
A Kinetic Monte Carlo super-Lattice code designed to simulate with atomic resolution the kinetics of processes (e.g., PVD, CVD, laser annealing) involving elements, alloys and compounds characterized by the sp3 bond symmetry.
Open-source, cross-platform application supporting lattice-based kinetic Monte Carlo simulations in crystalline systems
5 Οκτ 2023 · To model ion transport, atomistic simulations, including molecular dynamics (MD) and kinetic Monte Carlo (kMC) have been developed and applied. However, kMC simulations are utilized to a lower extent than MDs due to a lack of systematic workflows to construct models for predicting transition rates.
SPPARKS is a parallel Monte Carlo code for on-lattice and off-lattice models that includes algorithms for kinetic Monte Carlo (KMC), rejection kinetic Monte Carlo (rKMC), and Metropolis Monte Carlo (MMC).
