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, 8:00 AM – March 9, 2023, 8:36 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, 8:36 AM – March 9, 2023, 8:48 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, 8:48 AM – March 9, 2023, 9:00 AM

  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, 9:00 AM – March 9, 2023, 9:12 AM

  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, 9:12 AM – March 9, 2023, 9:24 AM

  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, 9:24 AM – March 9, 2023, 9:36 AM

  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, 9:36 AM – March 9, 2023, 9:48 AM

  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, 9:48 AM – March 9, 2023, 10:00 AM

  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, 10:00 AM – March 9, 2023, 10:12 AM

  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, 10:12 AM – March 9, 2023, 10:24 AM

  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, 10:24 AM – March 9, 2023, 10:36 AM

  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

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