740 Atomistic and Molecular Modeling and Simulation of Polymers


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: this session will be sorted jointly with Multiscale and Coarse-Grained Modeling of Polymers. Authors may submit to either session.+++

Sponsor:
Polymers


Chair:
Charles E. Sing
Assistant Professor
University of Illinois at Urbana-Champaign
Department of Chemical and Biomolecular Engineering
Urbana, IL
61801
Email: cesing@illinois.edu

Co-Chair:
Jonathan K. Whitmer
Assistant Professor
University of Notre Dame
Chemical and Biomolecular Engineering
Notre Dame, IN
46556
Email: jwhitme1@nd.edu


Papers:
740a
Computational Prediction and Evolutionary Design of Polymer Glass-Formation Behavior
David S. Simmons, University of Akron; Jui-Hsiang Hung, University of Akron; Venkatesh Meenakshisundaram, University of Akron; Tarak Kumar Patra, The University of Akron
740b
Domain Spacing and Phase Behavior of Salt-Doped Block Copolymers from Fluids Density Functional Theory
Jonathan R. Brown, The Ohio State University; Lisa M. Hall, The Ohio State University
740c
Atomistic Simulations of Lamellae-Forming PS-b-P2VP
Yamil J. Colón, Argonne National Laboratory; Weiwei Chu, University of Chicago; Juan J. de Pablo, University of Chicago
740d
Rapid Conformational Fluctuations in a Model of Methylcellulose
Xiaolan Li, University of Minnesota; Frank S. Bates, University of Minnesota; Kevin D. Dorfman, University of Minnesota
740e
Multi-Phase Coarse-Grained Models of Rod-like Polymers from Iterative Boltzmann Inversion
Christian Nowak, Cornell University; Fernando Escobedo, Cornell University
740f
Coarse-Grained Model of Exciton Dynamics on Long-Chain Conjugated Polymer System
Elizabeth M.Y. Lee, MIT; William A. Tisdale, MIT; Adam P. Willard, MIT
740g
Molecular Simulation of Thermoplastic Polyurethanes Under Large Mechanical Deformation
Shuze Zhu, MIT; Gregory C. Rutledge, Massachusetts Institute of Technology
740h
Harnessing Virtual High-Throughput Screening and Machine Learning for the Discovery of Novel High Refractive Index Polymers
Johannes Hachmann, University at Buffalo, SUNY
740i
Development of Reaction Ensemble Monte Carlo (REMC) Algorithms to Study the Kinetics of Polymerization
Inderdip Shere, Indian Institute of Technology, Bombay; Ateeque Malani, Indian Institute of Technology Bombay
Abstract Submissions Closed
See more of this Group/Topical: Materials Engineering and Sciences Division
<< Previous Session | Next Session >>