726 Multiscale and Coarse-Grained Modeling of Polymers


Description:
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.+++

Sponsor:
Polymers


Chair:
Ahmed E. Ismail
Assistant Professor
West Virginia University
Department of Chemical and Biomedical Engineering
Morgantown, WV
Email: ahmed.ismail@mail.wvu.edu

Co-Chair:
Robert A Riggleman
Assistant Professor
University of Pennsylvania
Chemical and Biomolecular Engineering
Philadelphia, PA
19104
Email: rrig@seas.upenn.edu


Papers:
726a
Polymer Semiflexibility Induces Non-Universal Phase Transitions in Block Copolymers
Shifan Mao, Stanford University; Quinn MacPherson, Stanford University; Andrew J Spakowitz, Stanford University
726b
A Strongly Coarse-Grained, Charge-Fluctuating Model for Polyelectrolytes
Nicholas Jackson, Argonne National Laboratory; Marcel Langenberg, University of Gottingen; Marcus Muller, Georg-August Universitat; Juan J. de Pablo, University of Chicago
726c
­­­­­Development of New Coarse-Grained Water Models Using Particle Swarm Optimization
Karteek K. Bejagam, Virginia Polytechnic and Institute and State University; Samrendra Singh, Virginia Polytechnic Institute and State University; Yaxin An, Virginia Polytechnic Institute and State University; Carter Berry, Virginia Polytechnic and Institute and State University; Sanket A. Deshmukh, Virginia Polytechnic and Institute and State University
Break
726e
Unified Polymer Erosion Model
Joel Coffel, University of Iowa; Eric Nuxoll, University of Iowa
726f
Development of a Fused-Sphere SAFT-γ Mie Force Field for Polymers and Application to Poly(vinyl butyral) Adsorption to Silica
Christopher Walker, North Carolina State University; Erik E. Santiso, North Carolina State University; Jan Genzer, North Carolina State University
726g
Effects of Coarse-Graining on Simulations of Mechanical Properties of Polymers
Ting Ge, University of North Carolina; Mark Robbins, Johns Hopkins University
726h
New Computational Methods for Rapid Simulation of Hydrodynamic Interactions in Polymer Solutions
James Swan, Massachusetts Institute of Technology; Andrew Fiore, Massachusetts Institute of Technology
726i
Coarse-Grained Molecular Dynamics Simulations of PNIPAM Grafted Graphene Systems in an Aqueous Environment
Carter Berry, Virginia Polytechnic and Institute and State University; Karteek K. Bejagam, Virginia Polytechnic and Institute and State University; Sanket A. Deshmukh, Virginia Polytechnic and Institute and State University
Abstract Submissions Closed
See more of this Group/Topical: Materials Engineering and Sciences Division
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