Category: Publications
Structure and Dynamics of Hybrid Colloid–Polyelectrolyte Coacervates: Insights from Molecular Simulations
September 5, 2023Boyuan Yu, Heyi Liang, Paul F. Nealey, Matthew V. Tirrell, Artem M. Rumyantsev, Juan J. de Pablo* Macromolecules 2023, 56 (18), 7256–7270
Read more: Structure and Dynamics of Hybrid Colloid–Polyelectrolyte Coacervates: Insights from Molecular Simulations »
Scattering Evidence of Positional Charge Correlations in Polyelectrolyte Complexes
July 31, 2023Yan N. Fang#, Artem M. Rumyantsev#, Angelika E. Neitzel, Heyi Liang, William T. Heller, Paul F. Nealey, Matthew V. Tirrell*, Juan J. de Pablo* Proc. Natl. Acad. Sci. U.S.A. 2023, 120 (32), e2302151120
Read more: Scattering Evidence of Positional Charge Correlations in Polyelectrolyte Complexes »
High-Efficiency Stretchable Light-Emitting Polymers from Thermally Activated Delayed Fluorescence
April 6, 2023Wei Liu#, Cheng Zhang#, Riccardo Alessandri, Benjamin T. Diroll, Yang Li, Heyi Liang, Xiaochun Fan, Kai Wang, Himchan Cho, Youdi Liu, Yahao Dai, Qi Su, Nan Li, Songsong Li, Shinya Wai, Qiang Li, Shiyang Shao, Lixiang Wang, Jie Xu, Xiaohong Zhang, Dmitri V. Talapin, Juan J. de Pablo*, Sihong Wang* Nat. Mater. 2023, 22 (6), 737–745
Read more: High-Efficiency Stretchable Light-Emitting Polymers from Thermally Activated Delayed Fluorescence »
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 »