Soft potentials for coarse grained modeling

Tuesday, November 4, 2008 - 2:45pm - 3:30pm
EE/CS 3-180
Ignacio Pagonabarraga Mora (University of Barcelona)
I will describe how to model the properties of non-ideal fluids using
effective, soft, many body potentials.

Although they are not derived from a microscopic systematic procedure, it is
possible to understand their properties from a systematic saddle point expansion.

Such an approach makes it possible to derive their equilibrium thermodynamic and
structural features, opening the possibility to relate the effective parameters
characterizing the soft potentials with their collective properties.

I will also describe how such many body potentials can be used to analyze the
properties of complex fluids out of equilibrium.