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)
  

  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.
  W. Xia and L. Ruiz Pestana, "Fundamentals of Multiscale Modeling of Structural Materials", 2022, Elsevier, Inc.
  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 →