Speaker
Prof.
Jim Skinner
(University of Wisconsin)
Description
We have used the E3B water model, which includes
three-
body interactions, to simulate ice Ih as well as LDA and
HDA,
bulk liquid water, and the liquid/vapor interface. In
addition
we have studied the water hexamer, salt solutions,
water
confined in reverse micelles and lipid multibilayers, and
water
at lipid and surfactant monolayer interfaces. For all of
these
systems we have calculated various vibrational
spectroscopic
observables and compared with experiment. In this talk
I will
focus on a selection of these studies, emphasizing new
insights that have emerged from this work.
