Advancing Polymer Physics by Integrating Simulation and Theory II

Presentations

• Break - Dillon Medal Talk

  March 6, 2018, 2:30 PM – March 6, 2018, 3:06 PM

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

  ORAL

  March 6, 2018, 3:06 PM – March 6, 2018, 3:18 PM

  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

  March 6, 2018, 3:18 PM – March 6, 2018, 3:30 PM

  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

  March 6, 2018, 3:30 PM – March 6, 2018, 3:42 PM

  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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• Electronically excited states in π/π stacking compounds

  ORAL

  March 6, 2018, 3:42 PM – March 6, 2018, 3:54 PM

  Presenters

  • Azusa Muraoka

    • Japan Women's Univ-Facul Sci

  Authors

  • Azusa Muraoka

    • Japan Women's Univ-Facul Sci

  • Nao Fukabori

    • Japan Women's Univ-Facul Sci

  • Tomomi Yasoshima

    • Japan Women's Univ-Facul Sci

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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

  March 6, 2018, 3:54 PM – March 6, 2018, 4:06 PM

  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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• Hierarchical excluded volume screening in solutions of bottlebrush polymers

  ORAL

  March 6, 2018, 4:06 PM – March 6, 2018, 4:18 PM

  Presenters

  • Jaroslaw Paturej

    • Leibniz Institute of Polymer Research

  Authors

  • Jaroslaw Paturej

    • Leibniz Institute of Polymer Research

  • Torsten Kreer

    • Leibniz Institute of Polymer Research

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• Routine million-particle simulations of epoxy curing with dissipative particle dynamics

  ORAL

  March 6, 2018, 4:18 PM – March 6, 2018, 4:30 PM

  Presenters

  • Stephen Thomas

    • Materials Science and Engineering, Boise State University

  Authors

  • Stephen Thomas

    • Materials Science and Engineering, Boise State University

  • Eric Jankowski

    • Micron School of Materials Science and Engineering, Boise State University
    • Materials Science and Engineering, Boise State University

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

  ORAL

  March 6, 2018, 4:30 PM – March 6, 2018, 4:42 PM

  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

  March 6, 2018, 4:42 PM – March 6, 2018, 4:54 PM

  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

  March 6, 2018, 4:54 PM – March 6, 2018, 5:06 PM

  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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