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Machine Learning and Data in Polymer Physics I

FOCUS · T16 · ID: 47510

Presentations

  • Machine-Learning-Guided Discovery of <sup>19</sup>F MRI Agents Enabled by Automated Copolymer Synthesis

    ORAL

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    Publication: Marcus Reis, Filipp Gusev, Nicholas G. Taylor, Sang Hun Chung, Matthew D. Verber, Yueh Z. Lee, Olexandr Isayev, and Frank A. Leibfarth. Machine-Learning-Guided Discovery of 19F MRI Agents Enabled by Automated Copolymer Synthesis. <br>Journal of the American Chemical Society, 2021 DOI: 10.1021/jacs.1c08181

    Presenters

    • Olexandr Isayev

      Carnegie Mellon University

    Authors

    • Olexandr Isayev

      Carnegie Mellon University

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  • An interpretable model for polydiketoenamine recyclability

    ORAL

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    Presenters

    • Rithwik Ghanta

      Lawrence Berkeley National Laboratory

    Authors

    • Rithwik Ghanta

      Lawrence Berkeley National Laboratory

    • Kristin Persson

      Lawrence Berkeley National Laboratory

    • Max Venetos

      Materials Sciences and Engineering, University of California

    • Alexander R Epstein

      University of California, Berkeley

    • Brett Helms

      The Molecular Foundry, Lawrence Berkeley National Laboratory

    • Jeremy Demarteau

      The Molecular Foundry, Lawrence Berkeley National Laboratory

    • Hai Wang

      The Molecular Foundry, Lawrence Berkeley National Laboratory

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  • Measuring mechanical properties at high-throughput using centrifugation

    ORAL

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    Presenters

    • Muzhou Wang

      Northwestern University

    Authors

    • Muzhou Wang

      Northwestern University

    • Yusu Chen

      Northwestern University

    • Qifeng Wang

      Northwestern University

    • Carolyn E Mills

      Northwestern University

    • Johanna G Kann

      Northwestern University

    • Kenneth R Shull

      Northwestern University

    • Danielle Tullman-Ercek

      Northwestern University

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  • Benchmarking Machine Learning Models for Polymer Informatics: An Example of Glass Transition Temperature

    ORAL

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    Publication: Lei Tao, Vikas Varshney, Ying Li, Benchmarking Machine Learning Models for Polymer Informatics: An Example of Glass Transition Temperature, Journal of Chemical Information and Modeling, 2021, In Press

    Presenters

    • Ying Li

      University of Connecticut

    Authors

    • Ying Li

      University of Connecticut

    • Lei Tao

      University of Connecticut

    • Vikas Varshney

      Air Force Research Laboratory

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  • Phase Behavior Predictions of Binary Linear Polymer Solutions using Machine Learning

    ORAL

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    Publication: "Deep Learning of Binary Solution Phase Behavior of Polystyrene", ACS Macro Lett. 2021, 10, 6, 749–754; "Predicting Solubility Temperature of Linear Polymers in Solution using Machine Learning", in preparation.

    Presenters

    • Jeffrey G Ethier

      UES Inc., Air Force Research Lab - WPAFB

    Authors

    • Jeffrey G Ethier

      UES Inc., Air Force Research Lab - WPAFB

    • Rohan K Casukhela

      Ohio State University

    • Joshua J Latimer

      UES Inc., Air Force Research Lab - WPAFB

    • Matthew D Jacobsen

      Air Force Research Lab - WPAFB

    • Richard A Vaia

      Air Force Research Lab - WPAFB, Air Force Research Laboratory

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  • Unsupervised learning of sequence-specific aggregation behavior for model copolymers

    ORAL · Invited

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    Publication: Unsupervised learning of sequence-specific aggregation behavior for a model copolymer, A Statt, DC Kleeblatt, WF Reinhart, Soft Matter 17 (33), 7697-7707, 2021<br>Opportunities and Challenges for Inverse Design of Nanostructures with Sequence Defined Macromolecules<br>WF Reinhart, A Statt, Accounts of Materials Research 2 (9), 697-700, 2021<br>Model for disordered proteins with strongly sequence-dependent liquid phase behavior, A Statt, H Casademunt, CP Brangwynne, AZ Panagiotopoulos, The Journal of chemical physics 152 (7), 075101, 2020

    Presenters

    • Antonia Statt

      University of Illinois at Urbana-Champai, Materials Science and Engineering, Grainger College of Engineering, University of Illinois, Urbana-Champaign, IL 61801, USA

    Authors

    • Antonia Statt

      University of Illinois at Urbana-Champai, Materials Science and Engineering, Grainger College of Engineering, University of Illinois, Urbana-Champaign, IL 61801, USA

    • Devon C Kleeblatt

      Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA

    • Wesley F Reinhart

      Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802, USA

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  • Microstructural descriptors for data-driven prediction of energetics and structures of polymer mesophases

    ORAL

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    Presenters

    • Duyu Chen

      University of California, Santa Barbara

    Authors

    • Duyu Chen

      University of California, Santa Barbara

    • Yao Xuan

      University of California, Santa Barbara

    • Kris T Delaney

      University of California, Santa Barbara

    • Hector D Ceniceros

      University of California at Santa Barbara

    • Glenn H Fredrickson

      University of California, Santa Barbara

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  • Accelerating Langevin Field-Theoretic Simulation with Semantic Segmentation Model

    ORAL

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    Publication: Daeseong Yong, Yeongsik Kim, Seungyun Jo, Du Yeol Ryu, and Jaeup U. Kim "Order-to-Disorder<br>Transition of Cylinder-Forming Block Copolymer Films Confined within Neutral Interfaces", submitted.

    Presenters

    • Daeseong Yong

      Ulsan Natl Inst of Sci & Tech, UNIST

    Authors

    • Daeseong Yong

      Ulsan Natl Inst of Sci & Tech, UNIST

    • Jaeup Kim

      Ulsan Natl Inst of Sci & Tech, UNIST

    View abstract →