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SCM-NV / pyZacros

Python Library for Automating Zacros Simulations
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Rate Expressions for Surface Reactions #35

Closed nfaguirrec closed 3 years ago

nfaguirrec commented 4 years ago

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See details in: M. Stamatakis and D. G. Vlachos (2011). “A Graph-Theoretical Kinetic Monte Carlo Framework for on-Lattice Chemical Kinetics”. Journal of Chemical Physics 134(21): 214115 doi: 10.1063/1.3596751; Supplementary Material

nfaguirrec commented 3 years ago

This part will be done by AMS instead of pyZacros