Session: Quantum Mechanics and Statistical Mechanics: Can One Avoid the Other?


PHYS		Tuesday, August 21, 2007

1:20 PM-4:40 PM BCEC -- 158, Oral
Quantum Mechanics and Statistical Mechanics: Can One Avoid the Other?
Materials and Surfaces
Organizers:	Jiali Gao Sharon Hammes-Schiffer
Presiding:	Oleg V. Prezhdo
1:20 PM	221	Study of silica-water interactions on mineral surfaces Shikha Nangia, Barbara J. Garrison
2:00 PM	222	Proton transfer along ordered water chains inside carbon nanotubes Gerhard Hummer, Sergio A. Hassan, Yong S. Lee, Christoph Dellago
2:40 PM	223	Monte Carlo simulation of cluster nucleation using quantum mechanical potentials Lonnie D. Crosby, Theresa L. Windus, Shawn M. Kathman
3:00 PM		Intermission
3:20 PM	224	Quantum-based simulations of the response of materials to extreme conditions Emily A. Carter
4:00 PM	225	QM/QM electronic embedding for electronic structure studies of surface chemistry Hrant P. Hratchian, Priya Parandekar, Krishnan Raghavachari, Thom Vreven, Michael J. Frisch
4:20 PM	226	Quantum drude oscillator models: Using Feynman path integrals to develop accurate force fields for biophysical simulation Glenn Martyna
	227	Paper Withdrawn

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