A Practical Guide to Surface Kinetic Monte Carlo Simulations

A Practical Guide to Surface Kinetic Monte Carlo Simulations

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. We will provide worked out examples using the kmos code, where we highligh...

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Bibliographic Details
Main Authors: Mie Andersen, Chiara Panosetti, Karsten Reuter
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Chemistry
Subjects:
kinetic Monte Carlo
lattice gas model
surface diffusion
heterogeneous catalysis
crystal growth
sensitivity analysis
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00202/full

Internet

https://www.frontiersin.org/article/10.3389/fchem.2019.00202/full

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