Machine Learning and Data in Polymer Physics II

Presentations

• Soft, biologically inspired materials for neuromorphic memristors and memcapacitors

  ORAL

  March 17, 2022, 4:00 PM – March 17, 2022, 4:12 PM

  Presenters

  • Charles P Collier

    Oak Ridge National Lab

  Authors

  • Charles P Collier

    Oak Ridge National Lab

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• Machine learning approach to identify critical configurations for strong electronic coupling

  ORAL

  March 17, 2022, 4:12 PM – March 17, 2022, 4:24 PM

  Presenters

  • Puja Agarwala

    Pennsylvania State University

  Authors

  • Puja Agarwala

    Pennsylvania State University

  • Shane Donaher

    Penn State University

  • Baskar Ganapathysubramanian

    Iowa State University

  • Enrique D Gomez

    Pennsylvania State University, Department of Chemical Engineering, Department of Materials Science and Engineering & Materials Research Institute, The Pennsylvania State University, Department of Chemical Engineering, Department of Materials Science and Engineering, and Materials Research Institute, The Pennsylvania State University

  • Scott T Milner

    Pennsylvania State University

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• The use of small angle neutron scattering data to support dark field data analysis in far-field interferometry

  ORAL

  March 17, 2022, 4:24 PM – March 17, 2022, 4:36 PM

  Presenters

  • Caitlyn M Wolf

    National Institute of Standards and Technology, NIST Center for Neutron Research, Gaithersburg, MD, National Institute of Standards and Technology

  Authors

  • Caitlyn M Wolf

    National Institute of Standards and Technology, NIST Center for Neutron Research, Gaithersburg, MD, National Institute of Standards and Technology

  • Youngju Kim

    National Institute of Standards and Technology, Physical Measurement Laboratory, Gaithersburg, MD; University of Maryland, Dept of Chemistry and Biochemistry, College Park, MD, University of Maryland, University of Maryland, College Park; National Institute of Standards and Technology

  • Peter Bajcsy

    National Institute of Standards and Technology, Information Technology Laboratory, Gaithersburg, MD, National Institute of Standards and Technology, NIST

  • Paul Kienzle

    National Institute of Standards and Technology, NIST Center for Neutron Research, Gaithersburg, MD, NIST, National Institute of Standards and Technology

  • Daniel S Hussey

    National Institute of Standards and Technology, Physical Measurement Laboratory, Gaithersburg, MD, National Institute of Standards and Technology

  • Katie M Weigandt

    National Institute of Standards and Technology, NIST Center for Neutron Research, Gaithersburg, MD, National Institute of Standards and Technology

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• High-throughput microrheology of polymer solutions and gels

  ORAL · Invited

  March 17, 2022, 4:36 PM – March 17, 2022, 5:12 PM

  Presenters

  • Matthew E Helgeson

    University of California, Santa Barbara, 1 Department of Chemical Engineering, University of California Santa Barbara, Department of Chemical Engineering and Materials Research Laboratory, University of California, Santa Barbara, 93106, United States

  Authors

  • Matthew E Helgeson

    University of California, Santa Barbara, 1 Department of Chemical Engineering, University of California Santa Barbara, Department of Chemical Engineering and Materials Research Laboratory, University of California, Santa Barbara, 93106, United States

  • Yimin Luo

    University of California, Santa Barbara

  • Alexandra V Bayles

    University of California, Santa Barbara

  • Yuekun Heng

    3 Department of Statistics and Probability, University of California Santa Barbara

  • Maneesh K Gupta

    4 Air Force Research Laboratory, Wright-Patterson AFB, Air Force Research Laboratory, WPAFB

  • Todd M Squires

    University of California, Santa Barbara

  • Megan T Valentine

    University of California, Santa Barbara

  • Matthew E Helgeson

    University of California, Santa Barbara, 1 Department of Chemical Engineering, University of California Santa Barbara, Department of Chemical Engineering and Materials Research Laboratory, University of California, Santa Barbara, 93106, United States

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• Predicting the Glass Transition of Complex Polymers via Integration of Machine Learning, Theory and Molecular Simulations

  ORAL

  March 17, 2022, 5:12 PM – March 17, 2022, 5:24 PM

  Publication: A. Alesadi et al., "Machine Learning Prediction of Glass Transition Temperature of Conjugated Polymers from Chemical Structure", 2021, in submission.<br>A. Karuth et al., "Predicting Glass Transition of Amorphous Polymers by Application of Cheminformatics and Molecular Dynamics Simulations", Polymer, 2021, 218, 123495.

  Presenters

  • Wenjie Xia

    North Dakota State University

  Authors

  • Wenjie Xia

    North Dakota State University

  • Amirhadi Alesadi

    North Dakota State University

  • Zhaofan Li

    North Dakota State University

  • Zhiqiang Cao

    University of Southern Mississippi

  • Xiaodan Gu

    University of Southern Mississippi, The University of Southern Mississippi

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• Diverse property-spectrum of flavors of polyolefins: A data analysis study

  ORAL

  March 17, 2022, 5:24 PM – March 17, 2022, 5:36 PM

  Presenters

  • Arunkumar C Rajan

    Georgia Institute of Technology

  Authors

  • Arunkumar C Rajan

    Georgia Institute of Technology

  • Oliver B Hvidsten

    Georgia Institute of Technology

  • Chiho Kim

    Georgia Institute of Technology

  • Rampi Ramprasad

    Georgia Institute of Technology

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• Machine Learning Discovery of Multi-Functional Polyimides

  ORAL

  March 17, 2022, 5:36 PM – March 17, 2022, 5:48 PM

  Publication: "Discovery of Multi-Functional Polyimides Through Exhausting Search Using Explainable Machine Learning Techniques", planned paper

  Presenters

  • Lei Tao

    University of Connecticut

  Authors

  • Lei Tao

    University of Connecticut

  • Jinlong He

    University of Connecticut

  • Vikas Varshney

    Air Force Research Laboratory

  • Ying Li

    University of Connecticut, University of Connecticuit

  • Wei Chen

    Northwestern University

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• HI vs AI: designing solvent-free brush networks with tissue-like mechanical properties

  ORAL

  March 17, 2022, 5:48 PM – March 17, 2022, 6:00 PM

  Presenters

  • Andrey V Dobrynin

    University of North Carolina at Chapel Hill, UNC Chapel Hill

  Authors

  • Andrey V Dobrynin

    University of North Carolina at Chapel Hill, UNC Chapel Hill

  • Sergei Sheiko

    University of North Carolina at Chapel Hill

  • Anastasia Stroujkova

    University of North Carolina at Chapel Hill

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• Illuminating Stress and Failure in Polyethylene with a Neural Network Potential

  ORAL

  March 17, 2022, 6:00 PM – March 17, 2022, 6:12 PM

  Presenters

  • Mark Dellostritto

    Temple University

  Authors

  • Mark Dellostritto

    Temple University

  • Simona Percec

    Temple University

  • Michael Klein

    Temple University

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• Machine Learning-based Study of Mechanical Properties of Dynamically Crosslinked Polymer Networks

  ORAL

  March 17, 2022, 6:12 PM – March 17, 2022, 6:24 PM

  Presenters

  • Alexandra Filiatraut

    Miami University

  Authors

  • Mehdi B Zanjani

    Miami University

  • Alexandra Filiatraut

    Miami University

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• Application of machine-learned constitutive relations for well-entangled polymer melt flows

  ORAL

  March 17, 2022, 6:24 PM – March 17, 2022, 6:36 PM

  Presenters

  • Souta Miyamoto

    Kyoto Univ

  Authors

  • Souta Miyamoto

    Kyoto Univ

  • John J Molina

    Kyoto University

  • Takashi Taniguchi

    National Institute for Materials Science, Tsukuba, Japan, National Institute for Materials Science, NIMS, Kyoto Univ, International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Ibaraki 305-0044, Japan., 3 National Institute for Materials Science, Tsukuba, Japan, National Institute for Materials Science; 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan, National Institute of Materials Science, Tsukuba, Japan, National Institute of Materials Science, Advanced Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba, 305-0044, Japan, National Institute for Materials Science (Japan), International Center for Materials Nanoarchitectonics, National Institute for Materials Science, International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan, Kyoto University, International Center for Materials Nanoarchitectonics, International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Tsukuba, Japan, International Center for Materials Nanoarchitectonics, National Institute for Materials Science, Japan, International Center for Materials Nanoarchitectonics, National Institute for MaterialsScience, 1-1 Namiki, Tsukuba 305-0044, Japan, National Institute for Material Science, Japan, National Institute for Material Science, National Institute of Material Sciences, Japan, NIMS, Tsukuba, 2National Institute for Materials Science, Namiki 1-1, Ibaraki 305-0044, Japan., National Institute of Materials Science, Tsukuba, Ibaraki 305-0044, Japan, National Institute for Materials Science, Japan, International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, 1-1 Namiki Tsukuba, Ibaraki 305-0044, Japan., NIMS, Japan, National Institute for Materials Science (NIMS), NIMS. Japan, International Center for Material Nanoarchitectonics, National Institute for Materials Science, Tsukuba, Japan, International Center for Material Nanoarchitectonics, National Institute for Materials Science, National Institute for Materials Science Tsukuba, National Institute for Materials Science, 1-1 Namiki, National Institute for Materials Science of Japan, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan, NIMS - National Institute for Material Science, Japan, International Center for Materials Nanoarchitectonics, National Institute for Material Science, Tsukuba, Ibaraki 305-0044, Japan., National Institute for Material Science, Tsukuba, National Institute for Materials Science, International Center for Materials Nanoarchitectonics, International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan, National Institute of Material Science, National Institute for Materials Science,1-1 Namiki, Tsukuba, 305-0044, Japan

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• Machine Learning Parametrization of a Coarse-grained Epoxy Model at Varying Crosslink Density

  ORAL

  March 17, 2022, 6:36 PM – March 17, 2022, 6:48 PM

  Publication: A. Giuntoli, N. Hansoge, A. van Beek, Z. Meng, W. Chen, S. Keten; Systematic Coarse-graining of Epoxy Resins with Machine Learning-informed Energy Renormalization, npj Computational Materials (2021), 7:168; https://doi.org/10.1038/s41524-021-00634-1

  Presenters

  • Andrea Giuntoli

    Zernike Institute, University of Groningen

  Authors

  • Andrea Giuntoli

    Zernike Institute, University of Groningen

  • Nitin K Hansoge

    Northwestern University

  • Anton van Beek

    Northwestern University

  • Zhaoxu Meng

    Clemson University

  • Wei Chen

    Northwestern University

  • Sinan Keten

    Northwestern University

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• Identifying Accelerated Ageing Pathways for Cross-Linked Polyethylene Pipes using Principal Component Analysis

  ORAL

  March 17, 2022, 6:48 PM – March 17, 2022, 7:00 PM

  Presenters

  • Michael Grossutti

    Univ of Guelph, University of Guelph

  Authors

  • Michael Grossutti

    Univ of Guelph, University of Guelph

  • Melanie Hiles

    Univ of Guelph

  • Joseph D'Amico

    Univ of Guelph

  • William C Wareham

    Univ of Guelph

  • Benjamin E Morling

    Univ of Guelph

  • Scott Graham

    Univ of Guelph

  • John R Dutcher

    Univ of Guelph, University of Guelph

  View abstract →