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Catalysis Kinetic Monte Carlo Package "Zacros" Released by Dr Stamatakis's Group

22 October 2013

Predicting the performance of catalytic materials is a major challenge in the design of catalysts for bespoke applications. The kinetic Monte Carlo package "Zacros" just released by the Dr Michail Stamatakis's research group enables the accurate simulation of complex molecular mechanisms on catalytic surfaces. It can incorporate reaction rate and energetics data from ab initio calculations, making it a powerful first-principles framework for understanding catalytic phenomena. The software is available free-of-charge to academics from: http://www.e-lucid.com/i/software/material_modelling/Zacros.html

Page last modified on 22 oct 13 15:36