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Efficient Implementation of Cluster Expansion Models in Surface Kinetic Monte Carlo Simulations with Lateral Interactions: Subtraction Schemes, Supersites, and the Supercluster Contraction.
Franziska Hess
Published in:
J. Comput. Chem. (2019)
Keyphrases
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efficient implementation
monte carlo simulation
monte carlo
markov chain
experimental data
three dimensional
active set
surface model
machine learning
efficient processing