Schedule Jun 07, 2012
Coarse-graining Entropy, Forces, and Structure
William Noid (Penn State Univ.)

I will discuss our recent work on inferring coarse-grained interaction potentials from structural information and establishing connections between both force- and structure-based approaches to multiscale modeling. I will demonstrate that the multiscale coarse-graining (MS-CG) force-based approach can be applied without force information via a generalization of the Yvon-Born- Green (g-YBG) theory and that the MS-CG method can also be re-expressed within an information theoretic framework, in analogy to the relative entropy structure-based approach. In addition, I will demonstrate that mean forces provide a key connection between the g-YBG theory and iterative structure-based methods, such as Iterative Boltzmann Inversion.

Begin Flash full motion video, or Flash lower bandwidth video. (Or, right-click to download the 3gp file.)

Begin QuickTime full motion movie or Quicktime lower bandwidth movie.
(Or, right-click to download the lower bandwidth movie.) (Or, right-click to download the podcast.)

Begin streaming RealMedia. (Or, right-click to download the audio file.)

To begin viewing slides, click on the first slide below. (Or, view as pdf.)

[01] [02] [03] [04] [05] [06] [07] [08] [09] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] [39] [40]

Author entry (protected)