Category: Publications
Understanding the Structure and Rheology of Galactomannan Solutions with Coarse-Grained Modeling
December 21, 2022Heyi Liang, Michael A. Webb, Manasi Chawathe, Denis Bendejacq, Juan J. de Pablo* Macromolecules 2023, 56 (1), 177–187
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Isotropic-to-Nematic Transition in Salt-Free Polyelectrolyte Coacervates from Coarse-Grained Simulations
October 18, 2022Boyuan Yu, Heyi Liang, Artem M. Rumyantsev, Juan J. de Pablo* Macromolecules 2022, 55 (21), 9627–9639
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Multiscale Rheology Model for Entangled Nylon 6 Melts
October 7, 2022Heyi Liang, Kenji Yoshimoto*, Masahiro Kitabata, Umi Yamamoto, Juan J. de Pablo* J. Polym. Sci. 2022, 3071–3084
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In Silico Active Learning for Small Molecule Properties
September 2, 2022Ludwig Schneider#, Marcus Schwarting#, Joshua Mysona, Heyi Liang, Ming Han, Phillip M. Rauscher, Jeffrey M. Ting, Shruti Venkatram, Richard B. Ross, K. J. Schmidt, Ben Blaiszik, Ian Foster, Juan J. de Pablo* Mol. Syst. Des. Eng. 2022, 7 (12), 1611–1621
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A Coarse-Grained Molecular Dynamics Study of Strongly Charged Polyelectrolyte Coacervates: Interfacial, Structural, and Dynamical Properties
May 2, 2022Heyi Liang, Juan J. de Pablo* Macromolecules 2022, 55 (10), 4146–4158
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Bottom-Up Multiscale Approach to Estimate Viscoelastic Properties of Entangled Polymer Melts with High Glass Transition Temperature
April 5, 2022Heyi Liang#, Kenji Yoshimoto*#, Phwey Gil#, Masahiro Kitabata, Umi Yamamoto, Juan J. de Pablo* Macromolecules 2022, 55 (8), 3159–3165
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Theory and Simulations of Hybrid Networks
August 6, 2021Michael Jacobs, Heyi Liang, Andrey V. Dobrynin* Macromolecules 2021, 54 (16), 7337–7346
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Complex Coacervation of Statistical Polyelectrolytes: Role of Monomer Sequences and Formation of Inhomogeneous Coacervates
July 28, 2021Boyuan Yu, Artem M. Rumyantsev, Nicholas E. Jackson, Heyi Liang, Jeffrey M. Ting, Siqi Meng, Matthew V. Tirrell, Juan J. de Pablo* Mol. Syst. Des. Eng. 2021, 6 (10), 790–804
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Charged Polymers: From Polyelectrolyte Solutions to Polyelectrolyte Complexes
July 22, 2021Ryan Sayko, Yuan Tian, Heyi Liang, Andrey V. Dobrynin* Macromolecules 2021, 54 (15), 7183–7192
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Bottlebrushes and Combs with Bimodal Distribution of the Side Chains: Diagram of States and Scattering Function
February 8, 2021Haley Starvaggi, Yuan Tian, Heyi Liang, Andrey V. Dobrynin* Macromolecules 2021, 54 (4), 1818–1828
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