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
Read more: Understanding the Structure and Rheology of Galactomannan Solutions with Coarse-Grained Modeling »
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
Read more: Isotropic-to-Nematic Transition in Salt-Free Polyelectrolyte Coacervates from Coarse-Grained Simulations »
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
Read more: Multiscale Rheology Model for Entangled Nylon 6 Melts »
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
Read more: In Silico Active Learning for Small Molecule Properties »
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
Read more: A Coarse-Grained Molecular Dynamics Study of Strongly Charged Polyelectrolyte Coacervates: Interfacial, Structural, and Dynamical Properties »
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
Read more: Bottom-Up Multiscale Approach to Estimate Viscoelastic Properties of Entangled Polymer Melts with High Glass Transition Temperature »
Theory and Simulations of Hybrid Networks
August 6, 2021Michael Jacobs, Heyi Liang, Andrey V. Dobrynin* Macromolecules 2021, 54 (16), 7337–7346
Read more: Theory and Simulations of Hybrid Networks »
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
Read more: Complex Coacervation of Statistical Polyelectrolytes: Role of Monomer Sequences and Formation of Inhomogeneous Coacervates »
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
Read more: Charged Polymers: From Polyelectrolyte Solutions to Polyelectrolyte Complexes »
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
Read more: Bottlebrushes and Combs with Bimodal Distribution of the Side Chains: Diagram of States and Scattering Function »