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

Ab-Initio Studies of Electron-assisted Chemical Bond Activation on Plasmonic Metal Nanoparticles
Hongliang Xin and Suljo Linic, University of Michigan, USA.

2:30 PM

Insight into Au Catalysis on Reducible Oxide Supports from AIMD Simulation at Finite Temperature
Yang-Gang Wang^1,2, 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. Fine^1,2, Vesna Havran¹, Brent J. Sherman^1,2 and Christopher Singer¹, (1)Washington University in St. Louis, USA, (2)University of Texas at Austin, USA.