338 Multiscale and Coarse-Grained Modeling of Polymers

Tuesday, November 18, 2014: 12:30 PM
International 9 (Marriott Marquis Atlanta)
This session focuses on multiscale simulation to characterize the behavior of polymeric materials and produce insight into structure property relationships. The appropriate simulation protocols span or connect two or more scales of time, size or detail in the polymeric materials. ***Note to faculty candidates: please include a note to the session chair during submission to alert them to your status*** +++Note: this session will be sorted jointly with Atomistic and Molecular Modeling and Simulations of Polymers. Authors may submit to either session.+++


Robert A Riggleman
Email: rrig@seas.upenn.edu

Ateeque Malani
Email: amalani@iitb.ac.in

1:45 PM
(338e) Multiresolution Modeling of Polymers: Wavelet-Based Reconstruction
Carl Simon Adorf, Animesh Agarwal, Christopher R. Iacovella and Ahmed E. Ismail

2:00 PM
(338f) Derivation of Coarse-Grained Lipid Potentials Using Multi-State Iterative Boltzmann Inversion
Timothy C. Moore, Christopher R. Iacovella, Shan Guo and Clare McCabe

2:45 PM
(338i) Multiscale Simulations of Thermal Annealing of P3HT:PCBM Active Layers in Bulk Heterojunctions
Jan Michael Carrillo, Rajeev Kumar, Monojoy Goswami, S. Michael Kilbey and Bobby G. Sumpter
See more of this Group/Topical: Materials Engineering and Sciences Division