| PHYS | Sunday, August 19, 2007 | ||
1:20 PM-5:00 PM BCEC -- 158, Oral | |||
Quantum Mechanics and Statistical Mechanics: Can One Avoid the Other? | |||
| Statistical Theories | |||
| Organizers: | Jiali Gao Sharon Hammes-Schiffer | ||
| Presiding: | Maria A. Gomez | ||
| 1:20 PM | 49 | From quantum chemistry to model potentials: Coarse graining in polymer chemistry Mark S. Gordon, Lyuda Slipchenko, Monica H. Lamm, Gaurav Pranami | |
| 2:00 PM | 50 | Entropy-driven population distributions in a prototypical flexible molecule with two flexible side chains: O-(2-acetamidoethyl)-N-acetyltyramine V. Alvin Shubert, Esteban Baquero, Daniel P. Schofield, Kenneth D. Jordan, Mark A. Lipton, Timothy S. Zwier | |
| 2:20 PM | 51 | Multiscale theory of electronic structure in solution: Quantum mechanics coupled with 3-D molecular theory of solvation Andriy Kovalenko | |
| 2:40 PM | 52 | Constrained search density functional theory and the entropy of charge transfer Susan R. Atlas, Steven M. Valone | |
| 3:00 PM | Intermission | ||
| 3:20 PM | 53 | Why not just evaluate the partition function? Lawrence R. Pratt | |
| 4:00 PM | 54 | Model for simulating nuclear and electronic state dynamics in liquids David Chandler, David E. Manolopoulos, Thomas Miller | |
| 4:40 PM | 55 | A statistical view of effective interactions in condensed matter Gregory A. Voth | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007