Focus Session: Multiscale Modeling of Polymers

Presentations

• Coarse graining of polystyrene sulfonate

  ORAL

  March 5, 2015, 2:30 PM – March 5, 2015, 2:42 PM

  Authors

  • Dvora Perahia

    • Clemson University

  • Anupriya Agrawal

    • Clemson University

  • Gary Grest

    • Sandia National Laboratories
    • Sandia National laboratories

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• Morphology and Dynamics of Tapered Diblock Copolymers from fDFT-initialized MD Simulations

  ORAL

  March 5, 2015, 2:42 PM – March 5, 2015, 2:54 PM

  Authors

  • Lisa Hall

    • The Ohio State University
    • Ohio State University

  • Youngmi Seo

    • The Ohio State University

  • Jonathan R. Brown

    • The Ohio State University

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• Properties of Coarse-Grained Polymer Models: Statics, Dynamics, and Crystallinity

  ORAL

  March 5, 2015, 2:54 PM – March 5, 2015, 3:06 PM

  Authors

  • Gary Grest

    • Sandia National Laboratories
    • Sandia National laboratories

  • K. Michael Salerno

    • Sandia National Laboratories

  • Anupriya Agrawal

    • Clemson University

  • Dvora Perahia

    • Clemson University, Clemson, SC 29634
    • Clemson University

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• Thermodynamically Consistent Coarse-Graining of Polymers

  COFFEE_KLATCH · Invited

  March 5, 2015, 3:06 PM – March 5, 2015, 3:42 PM

  Authors

  • Marina Guenza

    • University of Oregon

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• Modelling and multiscale simulations of meta aromatic polyurea: microscopic geometry and dielectric properties

  ORAL

  March 5, 2015, 3:42 PM – March 5, 2015, 3:54 PM

  Authors

  • Rui Dong

    • North Carolina State Univ

  • Vivek Ranjan

    • North Carolina State Univ

  • Marco Buongiorno Nardelli

    • University of North Texas
    • Univ of North Texas

  • Jerry Bernholc

    • North Carolina State Univ
    • NCSU
    • North Carolina State University

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• The conditional reversible work method for molecular coarse graining of soft matter

  ORAL

  March 5, 2015, 3:54 PM – March 5, 2015, 4:06 PM

  Authors

  • Nico F. A. van der Vegt

    • Professor of Physical chemistry at Technical University of Darmstadt
    • Technische Universit\"at Darmstadt
    • Tech Univ Darmstadt
    • TU Darmstadt, Germany

  • Emiliano Brini

    • Technische Universit\"at Darmstadt

  • Gregor Deichmann

    • Technische Universit\"at Darmstadt

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• Systematic and Simulation-Free Coarse Graining of Polymeric Systems: A Structure-based Study

  ORAL

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

  Authors

  • Delian Yang

    • Colorado State University

  • Qiang Wang

    • Department of Chemical and Biological Engineering, Colorado State University
    • Colorado State University

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• Systematic and Simulation-Free Coarse Graining of Polymeric Systems: A Relative-Entropy-based Study

  ORAL

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

  Authors

  • Qiang Wang

    • Department of Chemical and Biological Engineering, Colorado State University
    • Colorado State University

  • Delian Yang

    • Department of Chemical and Biological Engineering, Colorado State University

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• A proposed method for directed self-assembly of graphene nanoribbons

  ORAL

  March 5, 2015, 4:30 PM – March 5, 2015, 4:42 PM

  Authors

  • James Geraets

    • University of York

  • Reidun Twarock

    • University of York

  • Yvette Hancock

    • University of York

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• Universal aspects of conformations and transverse fluctuations of a two-dimensional semi-flexible chain

  ORAL

  March 5, 2015, 4:42 PM – March 5, 2015, 4:54 PM

  Authors

  • Hsiao-Ping Hsu

    • Johannes Gutenberg-Universit\"at Mainz

  • Aiqun Huang

    • University of Central Florida

  • Aniket Bhattacharya

    • University of Central Florida

  • Kurt Binder

    • Johannes Gutenberg-Universit\"at Mainz
    • Johannes-Gutenberg-Universitat, Mainz, Germany

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• Stretching wormlike chain: interplay between chain stiffness and excluded volume in the long chain limit

  ORAL

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

  Authors

  • Xiaolan Li

    • Chemical Engineering and Materials Science, University of Minnesota

  • Abhiram Muralidhar

    • Chemical Engineering and Materials Science, University of Minnesota

  • Charles Schroeder

    • Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign
    • University of Illinois at Urbana-Champaign
    • University of Illinois, Urbana Champaign
    • Associate professor at University of Illinois at Urbana Champaign

  • Kevin Dorfman

    • Chemical Engineering and Materials Science, University of Minnesota
    • Univ of Minn - Minneapolis
    • University of Minnesota

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• ABSTRACT WITHDRAWN

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

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• Accelerated dynamics of bead-spring polymer chains

  ORAL

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

  Authors

  • Gopinath Subramanian

    • Univ of Southern Mississippi

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