537634 A Roadmap for Modeling Single-Site (electro)Catalysts: A Combined Coupled Cluster, DFT and a Classical Force Field Approach

Jens Nørskov1, Anjli M. Patel1 and Ambarish Kulkarni2, (1)Stanford University, Stanford, CA, (2)University of California, Davis, Davis, CA
See more of this Session: Computational Catalysis III: Electrocatalysis
See more of this Group/Topical: Catalysis and Reaction Engineering Division