Methods for parallel simulations of surface reactions

Abstract

We study the opportunities for parallelism for the simulation of surface reactions. We introduce the concept of a partition and we give new simulation methods based on Cellular Automaton using partitions. We elaborate on the advantages and disadvantages of the derived algorithms comparing with Dynamic Monte Carlo algorithms. We find that we can get very fast simulations using this approach trading accuracy for performance and we give experimental data for the simulation of Ziff model.

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