Polymer Physics Insights from Computational, Theoretical, and Data-Driven Methods II

Presentations

• Thermodynamics of Polymers in Nanoparticle Films

  ORAL · Invited

  March 21, 2025, 2:30 PM – March 21, 2025, 3:06 PM

  Presenters

  • Robert A Riggleman

    University of Pennsylvania

  Authors

  • Robert A Riggleman

    University of Pennsylvania

  View abstract →

• Predicting Sequence-Dependent Solubility Using Polymer Field Theory

  ORAL

  March 21, 2025, 3:06 PM – March 21, 2025, 3:18 PM

  Presenters

  • Daniela Marina Rivera Mirabal

    University of California, Santa Barbara

  Authors

  • Daniela Marina Rivera Mirabal

    University of California, Santa Barbara

  • Rachel A Segalman

    University of California, Santa Barbara

  • M. S Shell

    University of California, Santa Barbara

  View abstract →

• Quantitative equivalence and performance comparison of particle and field-theoretic simulations

  ORAL

  March 21, 2025, 3:18 PM – March 21, 2025, 3:30 PM

  Presenters

  • Joshua Lequieu

    Drexel University

  Authors

  • Joshua Lequieu

    Drexel University

  View abstract →

• Dynamic Programming for Chain Propagator Computation of Branched Block Copolymers in Polymer Field Theory Simulations

  ORAL

  March 21, 2025, 3:30 PM – March 21, 2025, 3:42 PM

  Presenters

  • Daeseong Yong

    Korea Institute for Advanced Study

  Authors

  • Daeseong Yong

    Korea Institute for Advanced Study

  • Jaeup Kim

    UNIST

  View abstract →

• Stretching response of a polymer chain with deformable bonds

  ORAL

  March 21, 2025, 3:42 PM – March 21, 2025, 3:54 PM

  Publication: Jie Zhu and Laurence Brassart, Stretching response of a polymer chain with deformable bonds, planned paper

  Presenters

  • Jie Zhu

    University of Oxford

  Authors

  • Jie Zhu

    University of Oxford

  • Laurence Brassart

    University of Oxford

  View abstract →

• Micromechanics of polydisperse polymer networks with irregular topologies

  ORAL

  March 21, 2025, 3:54 PM – March 21, 2025, 4:06 PM

  Publication: Grasinger, Matthew. "Polymer networks which locally rotate to accommodate stresses, torques, and deformation." Journal of the Mechanics and Physics of Solids 175 (2023): 105289.<br><br>Grasinger, Matthew and Mulderrig, Jason. "Micromechanics of polydisperse polymer networks with irregular topologies". (in preparation).

  Presenters

  • Matthew J Grasinger

    Air Force Research Laboratory (AFRL)

  Authors

  • Matthew J Grasinger

    Air Force Research Laboratory (AFRL)

  • Jason P Mulderrig

    Cornell University, Air Force Research Laboratory (AFRL), Air Force Research Laboratory

  View abstract →

• Finite viscoelasticity model accounting for bond stretch in elastomers

  ORAL

  March 21, 2025, 4:06 PM – March 21, 2025, 4:18 PM

  Presenters

  • Jeongun Lee

    KAIST

  Authors

  • Jeongun Lee

    KAIST

  • Hansohl Cho

    KAIST

  View abstract →

• Accelerating Polymer Field Theories with Neural Operators

  ORAL

  March 21, 2025, 4:18 PM – March 21, 2025, 4:30 PM

  Publication: https://arxiv.org/abs/2410.00406

  Presenters

  • Emmit Kellum Pert

    Stanford University

  Authors

  • Emmit Kellum Pert

    Stanford University

  View abstract →

• Improved Algorithm for Identifying Partial Saddle-Points in Polymer Field Theoretic Simulation

  ORAL

  March 21, 2025, 4:30 PM – March 21, 2025, 4:42 PM

  Presenters

  • Kexin Chen

    University of Minnesota

  Authors

  • Kexin Chen

    University of Minnesota

  • David C Morse

    University of Minnesota

  • Kevin D Dorfman

    University of Minnesota

  View abstract →

• The Utility of Hidden Symmetry in Polymer Field Theory for Self-Consistent Field Theory and Field-Theoretic Simulation

  ORAL

  March 21, 2025, 4:42 PM – March 21, 2025, 4:54 PM

  Publication: Complex Implications of Translational Invariance in Polymer Field Theory, Jaeup U. Kim, Mark W. Matsen*, David C. Morse*, James D. Willis, Macromolecules, 2024, 57, 20, 9900-9910

  Presenters

  • Jaeup Kim

    UNIST

  Authors

  • Jaeup Kim

    UNIST

  • Mark W Matsen

    University of Waterloo

  • David C Morse

    University of Minnesota

  • James Daniel Willis

    University of Waterloo

  View abstract →

• Classical Density Functional Theory for Polymers: An Open-Source Solution for Modeling Complex Fluids

  ORAL

  March 21, 2025, 4:54 PM – March 21, 2025, 5:06 PM

  Publication: Alejandro Gallegos, Gary M. C. Ong, Jianzhong Wu; Ising density functional theory for weak polyelectrolytes with strong coupling of ionization and intrachain correlations. J. Chem. Phys. 28 December 2021; 155 (24): 241102. https://doi.org/10.1063/5.0066774<br><br>Alejandro Gallegos, Marcus Müller, Jianzhong Wu; Single-chain simulation of Ising density functional theory for weak polyelectrolytes. J. Chem. Phys. 7 December 2023; 159 (21): 214902. https://doi.org/10.1063/5.0175561

  Presenters

  • Alejandro A Gallegos

    New Mexico State University

  Authors

  • Alejandro A Gallegos

    New Mexico State University

  • Jianzhong Wu

    University of California, Riverside

  View abstract →

• Using data-science approaches to identify novel lithium conducting polymers with enhanced ionic conductivity

  ORAL

  March 21, 2025, 5:06 PM – March 21, 2025, 5:18 PM

  Publication: Using data-science approaches to unravel insights for enhanced transport of lithium ions in single-ion conducting polymer electrolyte, submitted to Chemistry of Materials (under review)

  Presenters

  • Qinyu Zhu

    Oak Ridge National Laboratory

  Authors

  • Qinyu Zhu

    Oak Ridge National Laboratory

  • Yifan Liu

    Oak Ridge National Laboratory

  • Lauren B Shepard

    Pennsylvania State University

  • Debjyoti bhattacharya

    Pennsylvania State University

  • Susan B Sinnott

    Pennsylvania State University, The Pennsylvania State University

  • Wesley F Reinhart

    Pennsylvania State University

  • Valentino R Cooper

    Oak Ridge National Laboratory

  • Rajeev Kumar

    Oak Ridge National Laboratory

  View abstract →

• Tiling Patterns Formed by ABC Miktoarm Star Triblock Terpolymers at the Strong Segregation

  ORAL

  March 21, 2025, 5:18 PM – March 21, 2025, 5:30 PM

  Presenters

  • Qiang Wang

    Colorado State University

  Authors

  • Qiang Wang

    Colorado State University

  • Run Jiang

    Nankai University

  • Baohui Li

    Nankai University

  View abstract →