Advancing Polymer Physics by Integrating Simulation and Theory II

ORAL · H43

Presentations

  • “On the fly” QM/MM hybrid simulations of critical failure at the interface in CNT/polymer nanocomposites

    ORAL

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    Presenters

    • Jacek Golebiowski

      Materials, Imperial College London

    Authors

    • Jacek Golebiowski

      Materials, Imperial College London

    • Peter Haynes

      Materials, Imperial College London

    • Arash Mostofi

      Materials, Imperial College London, Departments of Physics and Materials, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London

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  • Prediction of ionic conductivity and transport mechanism in polymer electrolytes using molecular dynamics

    ORAL

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    Presenters

    • jonathan mailoa

      Robert Bosch LLC, Research and Technology Center, Robert Bosch LLC

    Authors

    • jonathan mailoa

      Robert Bosch LLC, Research and Technology Center, Robert Bosch LLC

    • Nicola Molinari

      Imperial College, Physics, Imperial College London

    • Georgy Samsonidze

      Research and Technology Center, Robert Bosch LLC

    • Boris Kozinsky

      Harvard University

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  • Computational study of mechanical properties of poly-phenylene terephthalamide

    ORAL

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    Presenters

    • Jie Yu

      Temple Univ, Temple University

    Authors

    • Jie Yu

      Temple Univ, Temple University

    • Giacomo Fiorin

      Temple University

    • Haowei Peng

      Department of Physics, Temple University, Temple Univ, Temple University

    • Michael Klein

      Institute for Computational Molecular Science, Temple University, Department of Physics, Temple University, Temple University, Chemistry, Temple University

    • John Perdew

      Department of Physics, Temple University, Temple Univ, Temple University, Physics, Temple Univ

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  • Coarse-grained potentials to perform large scale molecular dynamics simulations of graphene sheets self-assembling at the water-oil interface

    ORAL

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    Presenters

    • Vikram Reddy Ardham

      Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt

    Authors

    • Vikram Reddy Ardham

      Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt

    • Frédéric Leroy

      Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt

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  • Structure and Mechanics of Semi-Crystalline Polymers: Coarse-Grained Simulation and Theory

    ORAL

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    Presenters

    • Tyler Martin

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, NIST -Natl Inst of Stds & Tech

    Authors

    • Tyler Martin

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, NIST -Natl Inst of Stds & Tech

    • Ronald Jones

      NIST -Natl Inst of Stds & Tech, Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, National Institute of Standards and Technology

    • Chad Snyder

      Materials Science and Engineering Division, National Institute of Standards and Technology, Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, NIST -Natl Inst of Stds & Tech

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  • Comparing Dynamics via Atomistic Simulations with Mechanics via Experiment: Utility of the Time-Temperature Superposition Principle

    ORAL

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    Presenters

    • Ketan Khare

      Materials Science & Engineering, NIST -Natl Inst of Stds & Tech

    Authors

    • Ketan Khare

      Materials Science & Engineering, NIST -Natl Inst of Stds & Tech

    • Frederick Phelan Jr.

      Materials Science and Engineering Division, NIST -Natl Inst of Stds & Tech, Materials Science & Engineering, NIST -Natl Inst of Stds & Tech, National Institute of Standards and Technology

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  • Shock-induced Para-crystallinity in PPTA

    ORAL

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    Presenters

    • Subodh Tiwari

      University of Southern California, Univ of Southern California

    Authors

    • Subodh Tiwari

      University of Southern California, Univ of Southern California

    • Sungwook Hong

      Univ of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, University of Southern California

    • Paulo Branicio

      Univ of Southern California

    • Rajiv Kalia

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

    • Aiichiro Nakano

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Physics, University of Southern California

    • Priya Vashishta

      Univ of Southern California, Physics & Astronomy, University of Southern California, University of Southern California, Mork Family Department of Chemical Engineering and Materials Science, Univ of Southern California, Collaboratory of Advanced Computing and Simulations, Univ of Southern California, Collaboratory for Advanced Computing and Simulations, University of Southern California, Physics, University of Southern California

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