We are a theoretical chemistry research group
in the Department of Chemistry
at the University of Wisconsin - Madison
with interests in equilibrium and nonequilibrium statistical mechanics and
condensed phase spectroscopy.

|
|
|
Joint probability distribution of the frequency of the OH stretch of HOD in liquid D2O and the hydrogen bond distance. |
|
|
|
A rendering of a single snapshot from a molecular dynamics simulation; a large, Buckyball-like solute (red) molecule is shown surrounded by the first few solvation shells of solvent particles (blue). The simulation is used to examine the effects of surface roughness of the diffusion of the solute. |
<hr size=2 width="100%" align=center>