PSU Mark
Eberly College of Science Mathematics Department

Meeting Details

For more information about this meeting, contact Xiantao Li, Yuxi Zheng, Kris Jenssen.

Title:Primer on the statistical thermodynamics of coarse-graining and inverse problems
Seminar:CCMA Luncheon Seminar
Speaker:Will Noid, Department of Chemistry, Penn State
Abstract:
In this talk we will discuss basic elements of statistical thermodynamics that are relevant for coarse-graining. In particular, we will present coarse-grained modeling as an example of the following inverse problem: Given structural information about a particular system, how can one determine a CG model that will reproduce this structural information. For condensed phase systems, this is a challenging inverse problem because the interactions are correlated. We present a direct approach for addressing these correlations and demonstrate its application for several complex molecular condensed phase systems.

Room Reservation Information

Room Number:MB114
Date:10 / 08 / 2010
Time:12:15pm - 01:30pm