648 Atomistic and Molecular Modeling and Simulation of Polymers


Description:
This session focuses generally on the 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
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)


Chair:
Li Xi
Assistant Professor
McMaster University
Department of Chemical Engineering
JHE374
Hamilton, ON
L8S4L7
Email: xili@mcmaster.ca

Co-Chair:
Guozhen Yang
Postdoc
University of Massachusetts Amherst
Department of Chemical Engineering
Amherst, MA
Email: yangguozhen2010@gmail.com


Papers:
648a
Deformation and Yield in Semicrystalline Polymers
Gregory C. Rutledge, Massachusetts Institute of Technology; Sanghun Lee, Massachusetts Institute of Technology; Jun Mo Kim, Massachusetts Institute of Technology; Shuze Zhu, Massachusetts Institute of Technology
648b
Computing Mechanical Properties of Elastomers Under Multiaxial Deformation Using Molecular Modeling
Suvrajyoti Kar, University of Rhode Island; Julie Cuddigan, University of Rhode Island; Michael L. Greenfield, University of Rhode Island
648c
Molecular Modeling of Mechanical Properties of Semicrystalline Polymer Fibers
Amulya K. Pervaje, NC State University; Melissa A. Pasquinelli, North Carolina State University; Saad A. Khan, North Carolina State University; Erik E. Santiso, North Carolina State University
648d
Predicting Nematic Coupling of Polybutadiene Using Atomistic Molecular Dynamic Simulations
Shreya Shetty, The Pennsylvania State University; Enrique D. Gomez, The Pennsylvania State University; Scott T. Milner, The Pennsylvania State University
648e
A Multiscale Modeling Approach to Characterizing Structural and Transport Properties in Diblock Copolymer Polymerized Ionic Liquids
Jordan R. Keith, University of Texas at Austin; Venkat Ganesan, The University of Texas at Austin
648f
Applying Protracted Colored Noise Dynamics to Dramatically Increase the Simulation Efficiency of Linear Polymer Systems
Peter J. Ludovice, Georgia Institute of Technology; Andrew Peters, Louisiana Tech University; Benjamin Nation, Georgia Institute of Technology; Clifford L. Henderson, Georgia Institute of Technology
648g
Primitive Chain Stiffening in Tightly Entangled Polymer Melts
Jason P. Koski, Sandia National Laboratories; Ralf Everaers, ENS de Lyon; Gary S. Grest, Sandia National Laboratories
648h
Zwitterionic Contribution to the Hydration Lubrication Dynamics of Poly(2-methacryloyloxyethyl phosphorylcholine)
Justin Gilmer, Vanderbilt University; Christoph Klein, Vanderbilt University; William L. Roussell, Vanderbilt University; Chris Iacovella, Vanderbilt University; Peter T. Cummings, Vanderbilt University; Clare McCabe, Vanderbilt University
648i
Protein Stabilization in Non-Native Solvents with Random Copolymers
Trung Nguyen, Northwestern University; Monica Olvera de la Cruz, Northwestern University
Abstract Submissions Closed
See more of this Group/Topical: Materials Engineering and Sciences Division
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