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 |
|---|
