An introduction to kinetic Monte Carlo simulations of surface reactions.

DOI10.1007/978-3-642-29488-4zbMATH Open1272.74002OpenAlexW643878296MaRDI QIDQ413787FDOQ413787

A. P. J. Jansen

Publication date: 7 May 2012

Published in: Lecture Notes in Physics (Search for Journal in Brave)

Full work available at URL: http://cds.cern.ch/record/1631390

zbMATH Keywords

phase transitionpotential energy surfacestochastic jumpminimumrandom number algorithm

Mathematics Subject Classification ID

Chemical and reactive effects in solid mechanics (74F25) Research exposition (monographs, survey articles) pertaining to mechanics of deformable solids (74-02) Dynamics of phase boundaries in solids (74N20) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Cited In (9)

• Monte Carlo algorithms for complex surface reaction mechanisms: Efficiency and accuracy
• A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics
• Solving the master equation without kinetic Monte Carlo: tensor train approximations for a CO oxidation model
• A General Framework for Consistent Estimation of Charge Transport Properties via Random Walks in Random Environments
• Efficient simulation of Markov chains using segmentation
• Kinetic theory of chemical reactions on crystal surfaces
• Massively parallel kinetic Monte Carlo simulations of charge carrier transport in organic semiconductors
• On 7-valent symmetric Cayley graphs of finite simple groups
• A stochastic approach to surface reactions including energetic interactions: I. Theory

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