| PHYS | Thursday, March 29, 2007 | ||
8:20 AM-11:55 AM McCormick Place South -- Room S406A, Level 4, Oral | |||
Capturing Complexity in Physical Sciences Simulation | |||
| Electronic Structure Methods | |||
| Sponsored by: | PHYS | ||
| Cosponsored by: | COMP | ||
| Organizers: | William F. Schneider Christopher M. Wolverton | ||
| Organizer, Presiding: | Krishnan Raghavachari | ||
| 8:20 AM | 589 | New hybrid functionals for ab initio calculations of properties of solids Gustavo E. Scuseria | |
| 9:00 AM | 590 | Finding reaction coordinates in complex systems via likelihood maximization Bernhardt L. Trout, Baron Peters, Gregg Beckham | |
| 9:40 AM | 591 | Barriers and pathways to quantitative modeling Angela K. Wilson, Nathan DeYonker, Thomas R. Cundari | |
| 10:00 AM | Intermission | ||
| 10:15 AM | 592 | Quantum/classical dynamics of nuclei and electrons in large systems Srinivasan S. Iyengar | |
| 10:55 AM | 593 | Large-scale ab initio simulations for semiconductor technology Wanda Andreoni | |
| 11:35 AM | 594 | Adaptive partitioning in multilevel/multiscale simulations Andreas Heyden, Donald G. Truhlar | |
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The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007