Session: Modeling and Simulation of Polymers II (2010 Annual Meeting)

Description:

This session focuses generally on simulation of polymeric materials. Topics of interest include, but are not limited to, development of new simulation/modeling techniques, application of modeling/simulation to provide insight into the properties and behavior of polymeric materials, and the development and use of multi-scale techniques for polymeric materials.

Sponsor:

Polymers

Chair:

Peter J. Ludovice
Georgia Institute of Technology
School of Chemical and Biomolecular Engineering
311 Ferst Drive
Atlanta, GA 30332-0100
Phone Number: 404-894-1835
Email: pete.ludovice@gatech.edu

Co-Chair:

Manolis Doxastakis
University of Houston
Department of Chemical and Biomolecular Engineering
S222 Engineering Bldg. 1
Houston, TX 77204
Phone Number: 713-743-4319
Fax Number: 713-743-4323
Email: edoxastakis@uh.edu

Papers:

600a

Fast off-Lattice Monte Carlo Simulations with a Novel Anisotropic Potential
Jing Zong, Colorado State University; Xinghua Zhang, Colorado State University; Qiang (David) Wang, Colorado State University

600b

End-Pairing of Soluble Capped (-CH2-CH2-O-)n Oligimers Provides a Experimentally Accessible Direct Observation of a Hydrophobic Bond
Mangesh Chaudhari, Tulane University; Lawrence R. Pratt, Tulane University

600c

Molecular Dynamics Characterization of End Grafted Polymer Brushes: Equilibrium and Confined Brushes
Ian G. Elliott, UC Davis; Tonya L. Kuhl, University of California at Davis; Roland Faller, University of California, Davis

Break

600d

Mean Field Theory of Charged Dendrimer Molecules
Thomas W. S. Lewis, University of Texas; Venkat Ganesan, University of Texas at Austin

600e

Numerical Coarse-Graining of Polymer Field Theories
Michael C. Villet, University of California, Santa Barbara; Glenn H. Fredrickson, University of California, Santa Barbara

600f

Quantitative Test of Polymer Field Theories by Fast Lattice Monte Carlo Simulations
Xinghua Zhang, Colorado State University; Pengfei Zhang, Nankai University; Baohui Li, Nankai University; Qiang Wang, Colorado State University

600g

Field Biased Molecular Simulation of Polymers in Beyond Equilibrium Conditions
Amir Vahid, University of Akron; J. Richard Elliott, The University of Akron

See more of this Group/Topical: Materials Engineering and Sciences Division

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