Examples of Computer-Aided Catalyst Design

Saturday, 14 February 2015: 10:00 AM-11:30 AM
Room LL20C (San Jose Convention Center)
Thomas Bligaard, SLAC National Accelerator Laboratory, Menlo Park, CA
Examples will be given of the application of a descriptor-based approach to designing catalysts for energy transformations. The talk will deal with issues associated with massive data bases of materials properties calculated from electronic structure theory