2011 Annual Meeting

Session: Computational Catalysis I - Databases and Informatics

Co-Chair

John R. Kitchin, Carnegie Mellon University

Presentations

08:30 AM

(18a) Database Driven Discovery of Materials and Catalysts
Thomas Bligaard

09:10 AM

(18b) Fuels and Chemicals From Biomass: Challenges and Opportunities From a Systems Perspective

09:30 AM

(18c) Materials Design Workbench: An Open-Access Database for Materials and Molecular Design
Glen Allen Ferguson, Jeff Greeley, Peter Zapol, Svetlozar Evtimov Nestorov, Ian T. Foster, David Landis, Karsten W. Jacobsen, Jens Strabo Hummelshøj, Thomas Bligaard

09:50 AM

(18d) Model-Based Design of Catalysts
W. Nicholas Delgass, Mahdi Abu-omar, Fabio H. Ribeiro, Kendall T. Thomson, Grigori Medvedev, Jun Wang, John Clay, Mary Jones, Wen-Sheng Lee, Jorge Pazmino, Kaiwalya Sabnis, Mayank Shakhar, Stephen D. Stamatis, Jeffery M. Switzer, Nicholas Travia, W. Damion Williams

10:10 AM

Panel Discussion