| COLL | Sunday, August 19, 2007 | ||
9:00 AM-12:00 PM BCEC -- 152, Oral | |||
Electronic Structure Modeling of Heterogeneous Catalysis | |||
| Computational Challenges in Modeling Catalysis | |||
| Organizers: | Nicola Marzari Andrzej Wieckowski | ||
| 9:00 AM | 10 | Error-controlled multiscale modeling approaches to surface chemistry and catalysis Karsten Reuter | |
| 9:40 AM | 11 | Finding catalyst leads from computational screening Thomas Bligaard | |
| 10:20 AM | 12 | Progress in density functionals relevant to catalysis modeling Gustavo E. Scuseria | |
| 11:00 AM | 13 | Hybrid functionals applied to extended systems Joachim Paier, Alessandro Stroppa, Martijn Marsman, Georg Kresse | |
| 11:40 AM | 14 | Positronium physisorption at quartz surfaces R. Saniz, B. Barbiellini, PM. Platzman, AJ. Freeman | |
Electronic Structure Modeling of Heterogeneous Catalysis -- Next Session
Symposium Grid -- Division of Colloid & Surface Chemistry -- Session Listing
Symposium Grid -- Material Innovations -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007