| PHYS | Monday, August 20, 2007 | ||
1:20 PM-5:00 PM BCEC -- 158, Oral | |||
Quantum Mechanics and Statistical Mechanics: Can One Avoid the Other? | |||
| Nuclear Quantum Dynamics | |||
| Organizers: | Jiali Gao Sharon Hammes-Schiffer | ||
| Presiding: | Victor Batista | ||
| 1:20 PM | 136 | Quantum molecular dynamics and quantum statistics: Imaginary and real time treatments Pierre-Nicholas Roy, Nicholas Blinov, Bilkiss Issack | |
| 2:00 PM | 137 | Adapting statistical mechanical methods for enhanced sampling to the dynamical path-integral problem Mark E. Tuckerman | |
| 2:40 PM | 138 | Application of path integral methods to kinetic isotope effects employing Feynman-Kleinert variational perturbation theory and free energy simulations Kin-Yiu Wong, Dan T Major, Jiali Gao | |
| 3:00 PM | Intermission | ||
| 3:20 PM | 139 | Quantized Hamilton dynamics Oleg V. Prezhdo | |
| 4:00 PM | 140 | Electron-proton correlation effects in the nuclear-electronic orbital approach Arindam Chakraborty, Sharon Hammes-Schiffer | |
| 4:20 PM | 141 | Vibrational action spectroscopy of clusters through dynamics averaging: An ab initio dynamical perspective Srinivasan S. Iyengar | |
| 4:40 PM | 142 | Vibrational relaxation of a solvated hydrogen-bonded complex via the mixed quantum-classical Liouville method Gabriel Hanna, Eitan Geva | |
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007