| PHYS | Monday, March 26, 2007 | ||
8:20 AM-11:55 AM McCormick Place South -- Room S406A, Level 4, Oral | |||
Capturing Complexity in Physical Sciences Simulation | |||
| Condensed Matter | |||
| Sponsored by: | PHYS | ||
| Cosponsored by: | COMP | ||
| Organizers: | William F. Schneider Krishnan Raghavachari | ||
| Organizer, Presiding: | Christopher M. Wolverton | ||
| 8:20 AM | 100 | Computational quantum condensed matter physics, then and now: In memory of Ken Hass Arthur J. Freeman | |
| 9:00 AM | 101 | Density-functional based simulation of spin-ordered molecular magnets Mark R Pederson | |
| 9:40 AM | 102 | First principles predictions of structure and cohesion of alumina grain boundaries Ivan Milas, Berit Hinnemann, Emily A. Carter | |
| 10:00 AM | Intermission | ||
| 10:15 AM | 103 | Simulations of the long time scale evolution of defects in solids Hannes Jónsson, Graeme Henkelman, Andreas Pedersen, Jean-Claude Berthet | |
| 10:55 AM | 104 | A practical approach to the prediction of crystal structure by merging data-mining methods with first principles quantum mechanics Gerbrand Ceder, Chris Fischer, Dane Morgan | |
| 11:35 AM | 105 | Predicting the future Bryan Goodman | |
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The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007