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  1. 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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  2. 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 ...

  3. 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.

  4. 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.

  5. lattice_mc is Python module for performing (kinetic) lattice-gas Monte Carlo (LGMC) simulations of ionic transport in solid electrolytes. In solid electrolytes, ionic motion is typically effected by a series of discrete “jumps” where ions move between adjacent lattice sites [1].

  6. 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).

  7. 20 Δεκ 2022 · To model ionic transport, atomistic simulations, including molecular dynamics (MD) and kinetic Monte Carlo (kMC) have been developed and applied to shed light on intricate materials...

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