Advances in Computational Catalysis II

Monday, June 3, 2013: 1:30 PM-3:10 PM
Segell (Galt House Hotel)
John R. Kitchin, Carnegie Mellon University, USA and Manos Mavrikakis, University of Wisconsin Madison, USA.
1:30 PM
 Keynote 
2:10 PM
2:30 PM
Insight into Au Catalysis on Reducible Oxide Supports from AIMD Simulation at Finite Temperature
Yang-Gang Wang1,2, Yeohoon Yoon1, Vassiliki-Alexandra Glezakou1, Roger Rousseau1 and Jun Li2, (1)Pacific Northwest National Laboratory, USA, (2)Tsinghua University, China.
2:50 PM
Modeling Carbon Dioxide and Methane Activation and Conversion on Ceria-based Catalysts
Cynthia S. Lo1, Zhuo Cheng1, Nathan A. Fine1,2, Vesna Havran1, Brent J. Sherman1,2 and Christopher Singer1, (1)Washington University in St. Louis, USA, (2)University of Texas at Austin, USA.