Simulation-based and Theoretical Insights into Polymer Physics

ORAL · W15 · ID: 1081886

Presentations

  • ORAL

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    Presenters

    • My Nguyen

      • University of California, Santa Barbara

    Authors

    • My Nguyen

      • University of California, Santa Barbara

    • Kevin Shen

      • University of California, Santa Barbara

    • Nicholas Sherck

      • BASF

    • Stephan Koehler

      • BASF

    • Rohini Gupta

      • BASF

    • Kris T Delaney

      • University of California, Santa Barbara

    • M. Scott Shell

      • Univeristy of California, Santa Barbara
      • University of California, Santa Barbara

    • Glenn H Fredrickson

      • University of California, Santa Barbara

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  • ORAL

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    Presenters

    • Charles Li

      • University of California, Santa Barbara

    Authors

    • Charles Li

      • University of California, Santa Barbara

    • M. Scott Shell

      • Univeristy of California, Santa Barbara
      • University of California, Santa Barbara

    • Glenn H Fredrickson

      • University of California, Santa Barbara

    • Kris T Delaney

      • University of California, Santa Barbara

    View abstract →

  • ORAL

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    Publication: [1]. S. Sengupta, R. Pant, P. Komarov, A. Venkatnathan, A.V. Lyulin, Atomistic Simulation Study of the Hydrated Structure and Transport Dynamics of a Novel Multi Acid Side Chain Polyelectrolyte Membrane, Int. J. Hydrogen Energy, 42, 27254-27268, 2017.
    [2]. S. Sengupta and A. V. Lyulin, Molecular Dynamics Simulations of Substrate Hydrophilicity and Confinement Effects in Capped Nafion Films, J. Phys. Chem. B, 122, 6107-6119, 2018.
    [3]. S. Sengupta, A.V. Lyulin, G. Kritikos, K. Karatasos, A. Venkatnathan, R. Pant, P. Komarov, Multiscale modelling examples: new polyelectrolyte nanocomposite membranes for perspective fuel cells and flow batteries, in "Theory and Modelling of Polymer Nanocomposites, V. Ginzburg, L. Hall, Eds, Chapter 6, Springer series in Mater. Sci., 2021.
    [4]. A. V. Lyulin S. Sengupta, A. Varghese, P. Komarov and A. Venkatnathan, Effect of annealing on structure and diffusion in hydrated Nafion membranes, ACS Appl. Polym. Mater., 2, 5058-5066, 2020.

    Presenters

    • Alexey Lyulin

      • Eindhoven University of Technology

    Authors

    • Alexey Lyulin

      • Eindhoven University of Technology

    • Soumyadipta Sengupta

      • Netherlands Org Scientific Res

    • Anna Varughese

      • Department of Chemistry and Centre for Energy Science, Indian Institute of Science Education and Research, Pune 411008, Maharashtra, India

    • Pavel Komarov

      • A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow 119991, Russia

    • Arun Venkatnathan

      • Department of Chemistry and Centre for Energy Science, Indian Institute ofScience Education and Research, Pune 411008, Maharashtra, India

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  • ORAL

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    Publication: 1. Photo-induced bond breaking during phase separation kinetics of block copolymer melts: A dissipative particle dynamics study; Ashish Kumar Singh, Avinash Chauhan, Sanjay Puri, Awaneesh Singh; Soft Matter, Vol. 17 (7), 1802-1813 (2021)

    2. DPD simulation insights on the structural changes and growth kinetics of polymeric fluids under random photo illumination; Ashish Kumar Singh, Avinash Chauhan, Sanjay Puri, Awaneesh Singh; Preprint (2022)

    Presenters

    • Awaneesh Singh

      • Indian Institute of Technology (BHU)

    Authors

    • Awaneesh Singh

      • Indian Institute of Technology (BHU)

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  • ORAL

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    Publication: Daeseong Yong and Jaeup U. Kim, Accelerating Langevin Field-Theoretic Simulation of Polymers with Deep Learning, Macromolecules, 55, 6505–6515 (2022)

    Presenters

    • Daeseong Yong

      • Korea Institute for Advanced Study

    Authors

    • Daeseong Yong

      • Korea Institute for Advanced Study

    • Wonjun Kang

      • Ulsan Natl Inst of Sci & Tech
      • UNIST

    • Jaeup Kim

      • Ulsan Natl Inst of Sci & Tech
      • UNIST

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