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A New Computational Interface for Catalysis
preprintrevised on 12.07.2019, 13:54 and posted on 12.07.2019, 14:46 by Pavlo Kravchenko, Craig Plaisance, David Hibbitts
This manuscript outlines the utility and power of our computational catalysis interface. This interface has been developed by our group and used extensively to study metal, ceramic, and zeolite catalyst systems.