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TITLE:
The H-bond network in water and ice
SPEAKER:
Professor Roberto Car,
TIME: Thursday Sept. 23, 2004 at 4 PM
PLACE: George P. Williams, Jr. Lecture Hall, (Olin 101)
and Princeton Institute for the Science and Technology of Materials
Princeton University
Intermolecular binding in water originates from hydrogen bonds. The special characteristics of these bonds are at the basis of many important properties of water and ice. In this talk, I will show how simple theoretical models and extensive ab-initio molecular dynamics simulations can be used to gain insight on the structure and dynamics of the H-bond network. I will focus, in particular, on the dielectric properties of water and ice and on the molecular origin of the hydrophobic effect which plays a crucial role in biophysics.