495 Modeling and Simulation of Polymers I

Wednesday, November 6, 2013: 12:30 PM
Franciscan B (Hilton)
Description:
This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new modeling and simulation techniques, application of modeling and simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multiscale techniques for polymeric materials. ***Note to faculty candidates: please include a note to the session chair during submission to alert them to your status*** +++ Note that all submissions will be to part I and will be sorted APS style to improve the cohesiveness of the sessions +++

Sponsor:
Polymers
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Ateeque Malani
Email: amalani@iitb.ac.in

Co-Chair:
Robert Riggleman
Email: rrig@seas.upenn.edu


12:30 PM
(495a) Invited Talk: Using Molecular Simulations to Design Cationic Polymers for DNA Binding and Delivery
Arthi Jayaraman, Robert M. Elder and Daniel Johnson

1:00 PM
Break

1:25 PM
(495c) Molecular Simulations of Compressibility of Co-Polymer Brushes
Ajay Singh Panwar, Buddhapriya Chakrabarti and Ankur Mishra

1:45 PM
(495d) Dynamics of Semi-Flexible Polymers in a Poor Solvent
Miqiu Kong, Indranil Saha Dalal and Ronald G. Larson

2:05 PM
(495e) Advanced Kinetic Monte Carlo Optimization of the Synthesis of Well-Defined (co)Polymers Via Atom Transfer Radical and Nitroxide Mediated Polymerization
Paul H.M. Van Steenberge, Dagmar R. D'hooge, Carolina Toloza Porras, Stijn K. Fierens, Marie-Françoise Reyniers and Guy B. Marin

2:25 PM
(495f) Multiscale Modeling of Polyisoprene On Silica and Graphite
Alexander Brayton, Yogendra N. Pandey, George J. Papakonstantopoulos, Craig Burkhart and Manolis Doxastakis

2:45 PM
(495g) Coarse Grained Molecular Dynamics Model of Block Copolymer Directed Self-Assembly
Richard A. Lawson, Andrew Peters, Peter J. Ludovice and Clifford L. Henderson
See more of this Group/Topical: Materials Engineering and Sciences Division
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