Focus Session: Theory and Simulation of Macromolecules I

Presentations

• Computation of the Gibbs free energy difference between polymorphs

  ORAL

  March 4, 2015, 2:30 PM – March 4, 2015, 2:42 PM

  Authors

  • Daniel W. Sinkovits

    • Columbia University

  • Sanat Kumar

    • Columbia University
    • Chemical Engineering, Columbia University

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• New Molecular Theory for Dense, Thin Polymer Films

  ORAL

  March 4, 2015, 2:42 PM – March 4, 2015, 2:54 PM

  Authors

  • Karl Freed

    • University of Chicago
    • James Franck Institute, University of Chicago

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• Examination of surface nucleation during the growth of long alkane crystals by molecular dynamics simulation

  ORAL

  March 4, 2015, 2:54 PM – March 4, 2015, 3:06 PM

  Authors

  • Alexander Bourque

    • Massachusetts Inst of Tech-MIT

  • Gregory Rutledge

    • Massachusetts Inst of Tech-MIT

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• Molecular Dynamics Simulations of Homogeneous Crystallization in Polymer Melt

  ORAL

  March 4, 2015, 3:06 PM – March 4, 2015, 3:18 PM

  Authors

  • Bin Kong

    • Chinese Academy of Sci (CAS)

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• Molecular dynamics simulation of electromechanical breakdown of polyolefins under a high electric field

  ORAL

  March 4, 2015, 3:18 PM – March 4, 2015, 3:30 PM

  Authors

  • Mayank Misra

    • Columbia University

  • Daniel Sinkovits

    • Columbia University

  • Sanat Kumar

    • Columbia University
    • Chemical Engineering, Columbia University

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• Recovery of polymer folding landscapes from univariate time series and its dimensionality reduction using machine learning

  ORAL

  March 4, 2015, 3:30 PM – March 4, 2015, 3:42 PM

  Authors

  • Jiang Wang

    • Department of Physics, University of Illinois at Urbana-Champaign

  • Andrew Ferguson

    • Univ of Illinois - Urbana
    • University of Illinois at Urbana-Champaign
    • Materials Science and Engineering, University of Illinois at Urbana-Champaign

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• Flow-Induced Crystallization and Nucleation in Isotactic Polypropylenes

  COFFEE_KLATCH · Invited

  March 4, 2015, 3:42 PM – March 4, 2015, 4:18 PM

  Authors

  • Scott Milner

    • Pennsylvania State University
    • Penn State University

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• Emergent tilt order in zigzagging polymer liquids

  ORAL

  March 4, 2015, 4:18 PM – March 4, 2015, 4:30 PM

  Authors

  • Benjamin Loewe

    • Georgia Institute of Technology

  • Anton Souslov

    • Georgia Institute of Technology

  • Paul M. Goldbart

    • Georgia Institute of Technology

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• Aggregation Transitions in Flexible Homopolymer Systems

  ORAL

  March 4, 2015, 4:30 PM – March 4, 2015, 4:42 PM

  Authors

  • Tomas Koci

    • Univ of Georgia

  • Michael Bachmann

    • Univ of Georgia
    • The University of Georgia
    • The Univ of Georgia

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• Scaling properties of the free energy of a wormlike chain in confinement

  ORAL

  March 4, 2015, 4:42 PM – March 4, 2015, 4:54 PM

  Authors

  • Jeff Z.Y. Chen

    • University of Waterloo

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• Parallel framework for wormlike chains using self consistent field theory

  ORAL

  March 4, 2015, 4:54 PM – March 4, 2015, 5:06 PM

  Authors

  • David Ackerman

    • Iowa State University

  • Baskar Ganapathysubramanian

    • Iowa State University
    • Iowa State Univ

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• Structure and dynamics of highly adsorbed semiflexible polymer melts

  ORAL

  March 4, 2015, 5:06 PM – March 4, 2015, 5:18 PM

  Authors

  • Jan-Michael Carrillo

    • Oak Ridge National Lab

  • Shiwang Cheng

    • Chemical Sciences Division, Oak Ridge National Lab
    • Oak Ridge National Lab

  • Rajeev Kumar

    • Oak Ridge National Lab
    • csmd division, Oak Ridge National Lab, 1 Bethel valley Rd, Oak Ridge, TN, 37831

  • Monojoy Goswami

    • Oak Ridge National Lab
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

  • Alexei Sokolov

    • Department of Chemistry, University of Tennessee, Knoxville
    • Chemical Sciences Division, Oak Ridge National Lab; Department of Physics and Astronomy, Department of Chemistry, University of Tennessee
    • Oak Ridge National Lab
    • Department of Chemistry, University of Tennessee; Chemical Sciences Division, Oak Ridge National Laboratory
    • University of Tennessee, Knoxville

  • Bobby G. Sumpter

    • Oak Ridge National Lab
    • csmd division, Oak Ridge National Lab, 1 Bethel valley Rd, Oak Ridge, TN, 37831
    • Center for Nanophase Materials Sciences, Oak Ridge National Laboratory

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• Polymer segregation under confinement: Free energy calculations and segregation dynamics simulations

  ORAL

  March 4, 2015, 5:18 PM – March 4, 2015, 5:30 PM

  Authors

  • James Polson

    • University of Prince Edward Island

  • Logan Montgomery

    • University of Prince Edward Island

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