Interactions, Dynamics, and Self-Assembly of Macromolecules in Solution

Presentations

• Electrostatic and Hydrogen-Bond Interactions in End-Functionalized Polymer Brushes: Molecular-Scale Insights from Simulations

  Oral-In-person

  March 19, 2026, 3:30 PM – March 19, 2026, 3:42 PM

  Publication: 1) Interaction of Planar Brushes with End Functionalized Carboxylic or Amine Groups: Water Structure, Hydrogen Bonds and Electrostatic Correlations

  Presenters

  • Prapti Kakkar

    • Iowa State University

  Authors

  • Prapti Kakkar

    • Iowa State University

  • Arnau Romero

  • Surya Mallapragada

    • Iowa State University

  • Alex Travesset

    • Ames National Laboratory

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• Random heteropolymers enable non-specific protein binding and loop-mediated stabilization

  Oral-In-person

  March 19, 2026, 3:42 PM – March 19, 2026, 3:54 PM

  Presenters

  • Tianyi Jin

    • Massachusetts Institute of Technology

  Authors

  • Tianyi Jin

    • Massachusetts Institute of Technology

  • Akorfa Dagadu

  • Connor Coley

  • Alfredo Alexander-Katz

    • Massachusetts Institute of Technology

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• Connecting Sequence, Conformation, and Dynamics in Synthetic Polymers

  Invited-In-person · Invited

  March 19, 2026, 3:54 PM – March 19, 2026, 4:30 PM

  Publication: Bogen, M.P.; Swofford, W.M.; Chittari, S.S.; Knight, A.S. Structure-Function Relationships in Sequence-Controlled Copolymers for Rare Earth Element Chelation. 2025. J. Am. Chem. Soc. ASAP. DOI: https://doi.org/10.1021/jacs.5c07853
  
  Chittari, S.S.; Dykeman-Bermingham, P.A.; Elder, B.M.; Knight, A.S. Bottom-up simulation, reconstruction, and quantification of macromolecule sequences from experimental polymerizations. 2025. Macromolecules. Accepted.
  
  Chittari, S.S.; Dykeman-Bermingham, P.A.; Bogen, M.P.; Knight, A.S.; Structure-Function Insights into Thermoresponsive Copolymers as Lanthanide Precipitants. 2024. J. Am. Chem. Soc. 146, 33499-33508. DOI: 10.1021/jacs.4c10427
  
  Dykeman-Bermingham, P.A.; Stingaciu, L.R.; Do, C.; Knight, A.S.; Dynamic Implications of Noncovalent Interactions in Single-Chain Polymer Nanoparticles. 2024. ACS Macro Lett. 13, 889-895. DOI: 10.1021/acsmacrolett.4c00269

  Presenters

  • Abigail Knight

    • University of North Carolina at Chapel Hill

  Authors

  • Abigail Knight

    • University of North Carolina at Chapel Hill

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• Regulating the self-assembly of rigid sphere-rod amphiphiles via. the side-chain length: coarse-grained molecular dynamics informed by all-atom data

  Oral-In-person · Withdrawn

  March 19, 2026, 4:30 PM – March 19, 2026, 4:42 PM

  Presenters

  • Farzad Toiserkani

    • The University of Akron

  Authors

  • Farzad Toiserkani

    • The University of Akron

  • YIFAN ZHOU

    • University of Akron

  • Mesfin Tsige

    • University of Akron

  • Tianbo Liu

    • University of Akron

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• Amphiphilic interactions drive clustering in organic semiconductors

  Oral-In-person

  March 19, 2026, 4:42 PM – March 19, 2026, 4:54 PM

  Presenters

  • Christine Mahajan

    • Pennsylvania State University

  Authors

  • Christine Mahajan

    • Pennsylvania State University

  • Enrique Gomez

    • Pennsylvania State University

  • Scott Milner

    • Pennsylvania State University

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• Diffusometric Fingerprinting of Geometrically Similar Amphiphilic Molecular Assemblies

  Oral-In-person

  March 19, 2026, 4:54 PM – March 19, 2026, 5:06 PM

  Publication: S. Liu and R. Sureshkumar, Deformation, Rupture and Reorganization of Copolymer Nanovesicles in Uniform Shear Flow, Langmuir, 41(8), 5083-5096 (2025)
  
  S. Liu and R. Sureshkumar, Energetic and Entropic Motifs in Vesicle Morphogenesis in Amphiphilic Diblock Copolymer Solutions, Colloids Interfaces, 8(1), 12-29 (2024)
  
  S. Liu, M.S. Samie and R. Sureshkumar, Vesicle Morphogenesis in Amphiphilic Triblock Copolymer Solutions, Colloids Interfaces, 8(3), 29-43 (2024)
  
  S. Liu and R. Sureshkumar, Morphological Diversity in Diblock Copolymer Solutions: A Molecular Dynamics Study, Colloids and Interfaces, 7(2), 40 (2023)
  

  Presenters

  • Radhakrishna Sureshkumar

    • Syracuse University

  Authors

  • Radhakrishna Sureshkumar

    • Syracuse University

  • Mohammad Samie

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• Concentration-Driven Slowdown of Chain-Exchange Kinetics in Block Copolymer Micelle Solutions

  Oral-In-person

  March 19, 2026, 5:06 PM – March 19, 2026, 5:18 PM

  Publication: Macromolecules 2025, 58, 19, 10580–10590

  Presenters

  • Evan Danielson

    • University of Minnesota

  Authors

  • Evan Danielson

    • University of Minnesota

  • Taehyoung Kim

    • University of Minnesota

  • Joanna White

    • University of Minnesota

  • Benjamin Magruder

    • University of Minnesota

  • Frank Bates

    • University of Minnesota

  • Tim Lodge

    • University of Minnesota

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• Spontaneous Formation of Core–Shell Microdroplets during Conventional Coacervate Phase Separation

  Oral-In-person

  March 19, 2026, 5:18 PM – March 19, 2026, 5:30 PM

  Presenters

  • Chelsea Edwards

    • National Institute of Standards and Technology (NIST)

  Authors

  • Chelsea Edwards

    • National Institute of Standards and Technology (NIST)

  • Matthew Helgeson

    • University of California, Santa Barbara

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• Spontaneous Sphere to Vesicle Transition of Block Copolymer Micelles in an Ionic Liquid

  Oral-In-person

  March 19, 2026, 5:30 PM – March 19, 2026, 5:42 PM

  Presenters

  • Yash Nandola

    • University of Minnesota

  Authors

  • Yash Nandola

    • University of Minnesota

  • Tim Lodge

    • University of Minnesota

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• A coarse-grained molecular dynamics model for polyrotaxane based 3D printable hydrogels: At equilibrium and under steady shear

  Oral-In-person

  March 19, 2026, 5:42 PM – March 19, 2026, 5:54 PM

  Presenters

  • Cameron Smith

    • Dartmouth College

  Authors

  • Cameron Smith

    • Dartmouth College

  • Wenlin Zhang

    • Dartmouth College

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• Viscosity Maximum with Temperature in Solutions of Methacrylate-Based Comb Copolymers

  Oral-In-person

  March 19, 2026, 5:54 PM – March 19, 2026, 6:06 PM

  Publication: N.A.

  Presenters

  • Yukai Shi

    • University of Minnesota

  Authors

  • Yukai Shi

    • University of Minnesota

  • Wei Zhang

  • Braeden Dilworth

  • Nga Nguyen

  • Ronald Lewis III

  • Ewan Galbraith

  • Tim Lodge

    • University of Minnesota

  • Frank Bates

    • University of Minnesota

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• Chain Connectivity Contributions to Many-Body Interactions and Osmotic Pressure in Polymer Solutions

  Oral-In-person · Withdrawn

  March 19, 2026, 6:06 PM – March 19, 2026, 6:18 PM

  Presenters

  • Hao Guo

    • Hokkaido University

  Authors

  • Hao Guo

    • Hokkaido University

  • Brian Chan

    • Duke University

  • Michael Rubinstein

    • Duke University

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