Progress in Advanced Characterization and Machine Learning Tools for Polymers

Presentations

• Extracting knowledge from polymeric data via AI

  ORAL · Invited

  March 19, 2026, 8:00 AM – March 19, 2026, 8:36 AM

  Presenters

  • Debra J Audus

    • National Institute of Standards and Technology (NIST)

  Authors

  • Debra J Audus

    • National Institute of Standards and Technology (NIST)

  • Jon Seppala

    • National Institute of Standards and Tech

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• SEEDPoly: A Latent Embedding-Based Screening Framework for Polymer Design

  ORAL

  March 19, 2026, 8:36 AM – March 19, 2026, 8:48 AM

  Presenters

  • Yasemin Basdogan

    • University of Rochester

  Authors

  • Yasemin Basdogan

    • University of Rochester

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• Active Learning–Driven Design of Disordered Proteins Across Coarse-Grained Models

  ORAL

  March 19, 2026, 8:48 AM – March 19, 2026, 9:00 AM

  Presenters

  • Zachary G Lipel

    • Princeton University

  Authors

  • Zachary G Lipel

    • Princeton University

  • Wesley Oliver

    • Princeton University

  • Michael A. Webb

    • Princeton University

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• Theory-Informed Machine Learning of Star and Polymer-Grafted Nanoparticle Solution Phase Behavior

  ORAL

  March 19, 2026, 9:00 AM – March 19, 2026, 9:12 AM

  Presenters

  • Charles Li

    • UES, a BlueHalo Company

  Authors

  • Charles Li

    • UES, a BlueHalo Company

  • Jeffrey G Ethier

    • Air Force Research Laboratory (AFRL)

  • Debra J Audus

    • National Institute of Standards and Technology (NIST)

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• AI Agents for Topological Polymer Simulations and Small-Angle Scattering Analysis

  ORAL

  March 19, 2026, 9:12 AM – March 19, 2026, 9:24 AM

  Publication: Lijie Ding and Changwoo Do. "SasAgent: Multi-Agent AI System for Small-Angle Scattering Data Analysis." arXiv preprint arXiv:2509.05363 (2025).
  
  Lijie Ding, Jan-Michael Carrillo, and Changwoo Do. "ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations" (in preparation, 2025).

  Presenters

  • Lijie Ding

    • Oak Ridge National Laboratory

  Authors

  • Lijie Ding

    • Oak Ridge National Laboratory

  • Jan-Michael Y Carrillo

    • Oak Ridge National Laboratory

  • Changwoo Do

    • Oak Ridge National Lab
    • Oak Ridge National Laboratory

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 19, 2026, 9:24 AM – March 19, 2026, 9:36 AM

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• Unraveling Nonequilibrium and Cooperative Dynamics in Soft Materials through Advanced XPCS, Rheology, and AI-Driven Analysis

  ORAL · Invited

  March 19, 2026, 9:36 AM – March 19, 2026, 10:12 AM

  Publication: H. He, H. Liang, M. Chu, Z. Jiang, J.J. de Pablo, M.V. Tirrell, S. Narayanan, & W. Chen, Transport coefficient approach for characterizing nonequilibrium dynamics in soft matter, Proc. Natl. Acad. Sci. U.S.A. 121 (31) e2401162121, https://doi.org/10.1073/pnas.2401162121 (2024).
  
  H. He, H. Liang, M. Chu, Z. Jiang, J.J. de Pablo, M.V. Tirrell, S. Narayanan, & W. Chen, Bridging microscopic dynamics and rheology in the yielding of charged colloidal suspensions, Proc. Natl. Acad. Sci. U.S.A. 122 (42) e2514216122, https://doi.org/10.1073/pnas.2514216122 (2025).

  Presenters

  • Wei Chen

    • Argonne National Laboratory

  Authors

  • Wei Chen

    • Argonne National Laboratory

  • Hongrui He

    • Argonne National Laboratory

  • Heyi Liang

    • University of Florida
    • The University of Chicago

  • Yuan Tian

    • New York University
    • The University of Chicago
    • University of North Carolina at Chapel Hill

  • Juan de Pablo

    • New York University
    • NYU

  • Matthew V Tirrell

    • University of Chicago
    • The University of Chicago

  • Suresh Narayanan

    • Argonne National laboratory
    • Argonne National Laboratory

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• Synchrotron X-Ray Mapping on Flow-Induced Crystallized Polymers

  ORAL

  March 19, 2026, 10:12 AM – March 19, 2026, 10:24 AM

  Publication: Macromolecules 2024, 57, 9, 4396–4409
  Macromolecules 2024, 57, 16, 8012–8024
  

  Presenters

  • Xiaoshi Zhang

    • Penn State University - The Behrend College
    • Penn State University, Erie

  Authors

  • Xiaoshi Zhang

    • Penn State University - The Behrend College
    • Penn State University, Erie

  • Benson J Jacob

    • Pennsylvania State University

  • Jason Daniel Alexander

    • Pennsylvania State University

  • Ryan Flanigan

    • Penn State University, Erie

  • Kirt Page

    • Cornell High Energy Synchrotron Source

  • Arthur Woll

    • Cornell University

  • Ralph H Colby

    • Pennsylvania State University

  • Alicyn M Rhoades

    • Penn State University, Erie

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• Nanometer-Scale Chain Orientation Transitions during Fracture of High-Density Polyethylene Characterized by Nanodiffraction Imaging

  ORAL

  March 19, 2026, 10:24 AM – March 19, 2026, 10:36 AM

  Presenters

  • Shusuke Kanomi

    • Tohoku University

  Authors

  • Shusuke Kanomi

    • Tohoku University

  • Hiroshi Jinnai

    • Tohoku University, Japan

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• PRIMA: Photothermal Resonant Infrared Mechanical Analysis

  ORAL

  March 19, 2026, 10:36 AM – March 19, 2026, 10:48 AM

  Presenters

  • Lukas Michalek

    • Stanford University

  Authors

  • Lukas Michalek

    • Stanford University

  • Carina Yi Jing Lim

    • Stanford University

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• A Small Angle Scattering Method for Quantifying Interparticle Interaction Ranges in Monoclonal Antibody Solutions

  ORAL

  March 19, 2026, 10:48 AM – March 19, 2026, 11:00 AM

  Publication: C.E.R. Edwards, W.C. Leite, Y. Liu. Low-Q Asymptotic Behavior of the Effective Structure Factor Yields Model-Independent Radius of Interparticle Interaction (Ri). ACS Measurement Science Au, 2025 Nov 7; XXXX(XXX): XXX-XXX.

  Presenters

  • Chelsea E Edwards

    • NIST
    • National Institute of Standards and Technology (NIST)

  Authors

  • Chelsea E Edwards

    • NIST
    • National Institute of Standards and Technology (NIST)

  • Yun Liu

    • National Institute of Standards and Technology (NIST)

  View abstract →