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Computational Nanoscience, Lecture 10: Brief Review, Kinetic Monte Carlo, and Random Numbers

By Elif Ertekin1, Jeffrey C Grossman2

1. University of Illinois at Urbana-Champaign 2. Massachusetts Institute of Technology

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Abstract

We conclude our discussion of Monte Carlo methods with a brief review of the concepts covered in the three previous lectures. Then, the Kinetic Monte Carlo method is introduced, including discussions of Transition State Theory and basic KMC algorithms. A simulation of vacancy-mediated diffusion is provided as an example of KMC. Finally, a brief primer on random number generation is presented.

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University of California, Berkeley

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Researchers should cite this work as follows:

  • Elif Ertekin; Jeffrey C Grossman (2008), "Computational Nanoscience, Lecture 10: Brief Review, Kinetic Monte Carlo, and Random Numbers," http://nanohub.org/resources/4090.

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