Machine Learning, Autonomous Experiments, and Big Data in Polymer Physics I

Presentations

• Cold, warm, warmer, hot! Impact of distance metrics on autonomous experimentation.

  ORAL · Invited

  March 9, 2023, 11:00 AM – March 9, 2023, 11:36 AM

  Publication: "Autonomous retrosynthesis of gold nanoparticles via spectral shape matching" K. Vaddi*, H. Thart Chiang, L. Pozzo*, RSC Digital Discovery, 1, 502-510, (2022)<br>

  Presenters

  • Lilo Pozzo

    University of Washington

  Authors

  • Kiran Vaddi

    University of Washington

  • Lilo Pozzo

    University of Washington

  • Huat Thart-Chiang

    University of Washington

  • Karen Li

    University of Washington

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• Interpreting Neutron Reflectivity from Thin Films of Block Copolymers using Neural Networks

  ORAL

  March 9, 2023, 11:36 AM – March 9, 2023, 11:48 AM

  Presenters

  • Miguel Fuentes-Cabrera

    Oak Ridge National Lab

  Authors

  • Miguel Fuentes-Cabrera

    Oak Ridge National Lab

  • Dustin Eby

    ORNL

  • Mathieu Doucet

    Oak Ridge National Laboratory, ORNL

  • Rajeev Kumar

    Oak Ridge National Lab

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• The Autonomous Formulation Laboratory: Macromolecular Formulation Discovery with Multimodal Measurements

  ORAL

  March 9, 2023, 11:48 AM – March 9, 2023, 12:00 PM

  Presenters

  • Peter Beaucage

    National Institute of Standards and Tech

  Authors

  • Peter Beaucage

    National Institute of Standards and Tech

  • Tyler B Martin

    National Institute of Standards and Tech

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• Combining Flory-Huggins Theory and Machine Learning for Improved Polymer Solution Phase Behavior Predictions

  ORAL

  March 9, 2023, 12:00 PM – March 9, 2023, 12:12 PM

  Presenters

  • Jeffrey G Ethier

    UES Inc., Air Force Research Lab - WPAFB, Air Force Research Lab

  Authors

  • Jeffrey G Ethier

    UES Inc., Air Force Research Lab - WPAFB, Air Force Research Lab

  • Debra J Audus

    NIST

  • Devin C Ryan

    UES Inc., Air Force Research Lab - WPAFB, Air Force Research Laboratory

  • Richard A Vaia

    Air Force Research Lab - WPAFB

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• Application of Deep Learning to Polymer Solutions

  ORAL

  March 9, 2023, 12:12 PM – March 9, 2023, 12:24 PM

  Presenters

  • Ryan Sayko

    University of North Carolina at Chapel Hill

  Authors

  • Ryan Sayko

    University of North Carolina at Chapel Hill

  • Michael S Jacobs

    Oak Ridge National Laboratory

  • Marissa Dominijanni

    University at Buffalo

  • Andrey V Dobrynin

    University of North Carolina at Chapel Hill, University of North Carolina, University of North Carolina Chapel Hill

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• Sequence, phase behavior and dynamics in protein condensates: an eternal triangle revealed by machine learning

  ORAL

  March 9, 2023, 12:24 PM – March 9, 2023, 12:36 PM

  Presenters

  • Michael A Webb

    Princeton University

  Authors

  • Michael A Webb

    Princeton University

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• Quantitative high-throughput measurement of bulk mechanical properties using commonly available equipment

  ORAL

  March 9, 2023, 12:36 PM – March 9, 2023, 12:48 PM

  Publication: J. Griffith, Y. Chen, Q. Liu, Q. Wang, J. Richards, D. Tullman-Ercek, K. Shull and M. Wang, Mater. Horiz., 2022, DOI: 10.1039/D2MH01064J.

  Presenters

  • Muzhou Wang

    Northwestern University

  Authors

  • Muzhou Wang

    Northwestern University

  • Justin Griffith

    Northwestern University

  • Yusu Chen

    Northwestern University

  • Qingsong Liu

    Northwestern University

  • Qifeng Wang

    Northwestern University

  • Jeffrey J Richards

    Northwestern University

  • Danielle Tullman-Ercek

    Northwestern University

  • Kenneth R Shull

    Northwestern University

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• Predicting microstructure of a polymer nanocomposite using machine learning

  ORAL

  March 9, 2023, 12:48 PM – March 9, 2023, 1:00 PM

  Publication: Ayush K, Seth A, and Patra T K, nanoNET: Machine Learning Platform for Predicting Nanoparticles Distribution in a Polymer Matrix, 2022, Preprint, https://doi.org/10.48550/arXiv.2208.11448

  Presenters

  • Tarak K Patra

    Indian Institute of Technology Madras

  Authors

  • Tarak K Patra

    Indian Institute of Technology Madras

  • Kumar Ayush

    Indian Institute of Technology Madras

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• Fast and Accurate Prediction of Polymer Viscoelasticity via Physics-Based Ensemble Learning

  ORAL

  March 9, 2023, 1:00 PM – March 9, 2023, 1:12 PM

  Presenters

  • Umi Yamamoto

    Advanced Materials Research Labs., Toray Industries, Inc.

  Authors

  • Umi Yamamoto

    Advanced Materials Research Labs., Toray Industries, Inc.

  • Kenji Yoshimoto

    Advanced Materials Research Labs., Toray Industries, Inc.

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

  ORAL

  March 9, 2023, 1:12 PM – March 9, 2023, 1:24 PM

  Publication: A. Alesadi, et al., "Machine Learning Prediction of Glass Transition Temperature of Conjugated Polymers from Chemical Structure", Cell Reports Physical Science, 2022, 3, 10091.<br>W. Xia and L. Ruiz Pestana, "Fundamentals of Multiscale Modeling of Structural Materials", 2022, Elsevier, Inc.<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

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• Machine learning-assisted discovery of high-performance polymer membranes for gas separation

  ORAL

  March 9, 2023, 1:24 PM – March 9, 2023, 1:36 PM

  Presenters

  • Jiaxin Xu

    University of Notre Dame

  Authors

  • Jiaxin Xu

    University of Notre Dame

  • Agboola Suleiman

    University of Notre Dame

  • Gang Liu

    University of Notre Dame

  • Meng Jiang

    University of Notre Dame

  • Ruilan Guo

    University of Notre Dame

  • Tengfei Luo

    University of Notre Dame, Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, IN, United States

  View abstract →