Publications
Journal Articles
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(48) Oh, J.; Liang, H.; Nitta, N.; Kim, J.; Tian, Y.; Liu, G.; Hertzog, J. E.; de Pablo, J. J.; Rowan, S. J. Impact of Threading State on the Mechanics of γ-Cyclodextrin–Pyrene Gels. Angew. Chem. Int. Ed., 2026, e1958506
(47) He, H.#; Tian, Y.#; Liang, H.; de Pablo, J. J.; Tirrell, M. V.; Narayanan, S.; Chen, W. Hierarchical and Cascading Cooperative Rearrangements Regions in Dense Colloidal Suspensions. Soft Matter, 2026, 22(30), 5089-5096.
(46) Yoshimoto, K.; Sato, T.; Yamamoto, U.; Liang, H.; de Pablo, J. J. Effect of ensemble averaging on Green–Kubo estimation of short-time stress relaxation modulus in all-atom molecular dynamics simulations of an unentangled polymer melt. J. Chem. Phys., 2026, 164(22), 226101.
(45) Yang, D.; Liang, H.; Zhang, C.; Shao, P.; Li, Q.; Huang, Y.; Dan, Y.; Zeng, C.; Wen, R.T.; Jiang, L.; Xiao, M. Inverse Design of Structural Colours in Polymeric Films with Crystallization-Induced Reversible Thermochromism. Nature Commun., 2025, 16(1), 10040.
(44) He, H.#; Liang, H.#; Chu, M.; Jiang, Z.; de Pablo, J. J.; Tirrell, M. V.; Narayanan, S.; Chen, W. Bridging Microscopic Dynamics and Rheology in the Yielding of Charged Colloidal Suspensions. Proc. Natl. Acad. Sci. U.S.A. 2025, 122 (42), e2514216122.
(43) Liu, G.#; Oh, J.#; Tian, Y.#; Hertzog, J.E.; Liang, H.; Rawe, B.W.; Nitta, N.; Lindberg, C.A.; Kim, H.; de Pablo, J.J.; Rowan, S.J. Structure–Property Relationships of Responsive Doubly-Threaded Slide-Ring Polycatenane Networks. Chem. Sci. 2025, 16 (41), 19192-19204.
(42) Zheng, L.#; Liang, H.#; Tang, J.; Zheng, Q.; Chen, F.; Wang, L.; Li, Q. Micrometer-Scale Poly (Ethylene Glycol) with Enhanced Mechanical Performance. Nat. Commun. 2025, 16 (1), 4391.
(41) Tang, J.#; Liang, H.#; Ren, A.; Ma, L.; Hao, W.; Yao, Y.; Zheng, L.; Li, H.; Li, Q.# Mechanical Performance of Copper‐Nanocluster‐Polymer Nanolattices. Adv. Mater. 2024, 36 (26), 2400080.
(40) Liang, H.; Yoshimoto, K.; Rowan, S. J.; de Pablo, J. J. Bottom-up Multiscale Simulation of Nonlinear Rheology for Entangled Polymer Melts: Using Atactic Polystyrene as An Example. Macromolecules 2024, 57 (24), 11808–11817.
(39) He, H.; Liang, H.; Chu, M.; Jiang, Z.; de Pablo, J. J.; Tirrell, M. V.; Narayanan, S.; Chen, W. Transport Coefficient Approach for Characterizing Nonequilibrium Dynamics in Soft Matter. Proc. Natl. Acad. Sci. U.S.A. 2024, 121 (31), e2401162121.
(38) Yu, B.; Liang, H.; Nealey, P. F.; Tirrell, M. V.; Rumyantsev, A. M.; de Pablo, J. J. Structure and Dynamics of Hybrid Colloid–Polyelectrolyte Coacervates: Insights from Molecular Simulations. Macromolecules 2023, 56 (18), 7256–7270.
(37) Liu, W.#; Zhang, C.#; Alessandri, R.; Diroll, B. T.; Li, Y.; Liang, H.; Fan, X.; Wang, K.; Cho, H.; Liu, Y.; Dai, Y.; Su, Q.; Li, N.; Li, S.; Wai, S.; Li, Q.; Shao, S.; Wang, L.; Xu, J.; Zhang, X.; Talapin, D. V.; de Pablo, J. J.; Wang, S. High-Efficiency Stretchable Light-Emitting Polymers from Thermally Activated Delayed Fluorescence. Nat. Mater. 2023, 22 (6), 737–745.
(36) Liang, H.; Webb, M. A.; Chawathe, M.; Bendejacq, D.; de Pablo, J. J. Understanding the Structure and Rheology of Galactomannan Solutions with Coarse-Grained Modeling. Macromolecules 2023, 56 (1), 177–187.
(35) Fang, Y. N.#; Rumyantsev, A. M.#; Neitzel, A. E.; Liang, H.; Heller, W. T.; Nealey, P. F.; Tirrell, M. V.; de Pablo, J. J. Scattering Evidence of Positional Charge Correlations in Polyelectrolyte Complexes. Proc. Natl. Acad. Sci. U.S.A. 2023, 120 (32), e2302151120.
(34) Yu, B.; Liang, H.; Rumyantsev, A. M.; de Pablo, J. J. Isotropic-to-Nematic Transition in Salt-Free Polyelectrolyte Coacervates from Coarse-Grained Simulations. Macromolecules 2022, 55 (21), 9627–9639.
(33) Schneider, L.#; Schwarting, M.#; Mysona, J.; Liang, H.; Han, M.; Rauscher, P. M.; Ting, J. M.; Venkatram, S.; Ross, R. B.; Schmidt, K. J.; Blaiszik, B.; Foster, I.; de Pablo, J. J. In Silico Active Learning for Small Molecule Properties. Mol. Syst. Des. Eng. 2022, 7 (12), 1611–1621.
(32) Liang, H.; Yoshimoto, K.; Kitabata, M.; Yamamoto, U.; de Pablo, J. J. Multiscale Rheology Model for Entangled Nylon 6 Melts. J. Polym. Sci. 2022, 3071–3084.
(31) Liang, H.#; Yoshimoto, K.#; Gil, P.#; Kitabata, M.; Yamamoto, U.; de Pablo, J. J. Bottom-Up Multiscale Approach to Estimate Viscoelastic Properties of Entangled Polymer Melts with High Glass Transition Temperature. Macromolecules 2022, 55 (8), 3159–3165.
(30) Liang, H.; de Pablo, J. J. A Coarse-Grained Molecular Dynamics Study of Strongly Charged Polyelectrolyte Coacervates: Interfacial, Structural, and Dynamical Properties. Macromolecules 2022, 55 (10), 4146–4158.
(29) Yu, B.; Rumyantsev, A. M.; Jackson, N. E.; Liang, H.; Ting, J. M.; Meng, S.; Tirrell, M. V.; de Pablo, J. J. Complex Coacervation of Statistical Polyelectrolytes: Role of Monomer Sequences and Formation of Inhomogeneous Coacervates. Mol. Syst. Des. Eng. 2021, 6 (10), 790–804.
(28) Starvaggi, H.; Tian, Y.; Liang, H.; Dobrynin, A. V. Bottlebrushes and Combs with Bimodal Distribution of the Side Chains: Diagram of States and Scattering Function. Macromolecules 2021, 54 (4), 1818–1828.
(27) Sayko, R.; Tian, Y.; Liang, H.; Dobrynin, A. V. Charged Polymers: From Polyelectrolyte Solutions to Polyelectrolyte Complexes. Macromolecules 2021, 54 (15), 7183–7192.
(26) Jacobs, M.; Liang, H.; Dobrynin, A. V. Theory and Simulations of Hybrid Networks. Macromolecules 2021, 54 (16), 7337–7346.
(25) Tian, Y.; Liang, H.; Dobrynin, A. V. Elastocapillarity and Rolling Dynamics of Solid Nanoparticles on Soft Elastic Substrates. Soft Matter 2020, 16 (9), 2230–2237.
(24) Sayko, R.; Wang, Z.; Liang, H.; Becker, M. L.; Dobrynin, A. V. Degradation of Films of Block Copolymers: Molecular Dynamics Simulations. Macromolecules 2020, 53 (4), 1270–1280.
(23) Sayko, R.; Wang, Z.; Liang, H.; Becker, M. L.; Dobrynin, A. V. Degradation of Block Copolymer Films Confined in Elastic Media: Molecular Dynamics Simulations. Macromolecules 2020, 53 (21), 9460–9469.
(22) Keith, A. N.; Vatankhah-Varnosfaderani, M.; Clair, C.; Fahimipour, F.; Dashtimoghadam, E.; Lallam, A.; Sztucki, M.; Ivanov, D. A.; Liang, H.; Dobrynin, A. V.; Sheiko, S. S. Bottlebrush Bridge between Soft Gels and Firm Tissues. ACS Cent. Sci. 2020, 6 (3), 413–419.
(21) Wang, Z.; Tian, Y.; Liang, H.; Adamson, D. H.; Dobrynin, A. V. Electrical Conductivity of Graphene–Polymer Composite Foams: A Computational Study. Macromolecules 2019, 52 (19), 7379–7385.
(20) Sayko, R.; Cao, Z.; Liang, H.; Dobrynin, A. V. Gluing Interfaces with Soft Nanoparticles. Langmuir 2019, 35 (22), 7277–7284.
(19) Liang, H.; Wang, Z.; Sheiko, S. S.; Dobrynin, A. V. Comb and Bottlebrush Graft Copolymers in a Melt. Macromolecules 2019, 52 (10), 3942–3950.
(18) Liang, H.; Wang, Z.; Dobrynin, A. V. Strain-Adaptive Self-Assembled Networks of Linear-Bottlebrush-Linear Copolymers. Macromolecules 2019, 52 (22), 8617–8624.
(17) Liang, H.; Wang, Z.; Dobrynin, A. V. Scattering from Melts of Combs and Bottlebrushes: Molecular Dynamics Simulations and Theoretical Study. Macromolecules 2019, 52 (15), 5555–5562.
(16) Liang, H.; Grest, G. S.; Dobrynin, A. V. Brush-Like Polymers and Entanglements: From Linear Chains to Filaments. ACS Macro Lett. 2019, 8 (10), 1328–1333.
(15) Jacobs, M.; Liang, H.; Dashtimoghadam, E.; Morgan, B. J.; Sheiko, S. S.; Dobrynin, A. V. Nonlinear Elasticity and Swelling of Comb and Bottlebrush Networks. Macromolecules 2019, 52 (14), 5095–5101.
(14) Clair, C.; Lallam, A.; Rosenthal, M.; Sztucki, M.; Vatankhah-Varnosfaderani, M.; Keith, A. N.; Cong, Y.; Liang, H.; Dobrynin, A. V.; Sheiko, S. S.; Ivanov, D. A. Strained Bottlebrushes in Super-Soft Physical Networks. ACS Macro Lett. 2019, 8 (5), 530–534.
(13) Wang, Z.; Liang, H.; Adamson, D. H.; Dobrynin, A. V. From Graphene-like Sheet Stabilized Emulsions to Composite Polymeric Foams: Molecular Dynamics Simulations. Macromolecules 2018, 51 (18), 7360–7367.
(12) Vatankhah-Varnosfaderani, M.; Keith, A. N.#; Cong, Y.#; Liang, H.#; Rosenthal, M.; Sztucki, M.; Clair, C.; Magonov, S.; Ivanov, D. A.; Dobrynin, A. V.; Sheiko, S. S. Chameleon-like Elastomers with Molecularly Encoded Strain-Adaptive Stiffening and Coloration. Science 2018, 359 (6383), 1509–1513.
(11) Tian, Y.; Liang, H.; Dobrynin, A. V. Rolling Dynamics of Nanoscale Elastic Shells Driven by Active Particles. ACS Cent. Sci. 2018, 4 (11), 1537–1544.
(10) Liang, H.; Sheiko, S. S.; Dobrynin, A. V. Supersoft and Hyperelastic Polymer Networks with Brushlike Strands. Macromolecules 2018, 51 (2), 638–645.
(9) Liang, H.#; Morgan, B. J.#; Xie, G.#; Martinez, M. R.; Zhulina, E. B.; Matyjaszewski, K.; Sheiko, S. S.; Dobrynin, A. V. Universality of the Entanglement Plateau Modulus of Comb and Bottlebrush Polymer Melts. Macromolecules 2018, 51 (23), 10028–10039.
(8) Liang, H.; Cao, Z.; Wang, Z.; Dobrynin, A. V. Surface Stresses and a Force Balance at a Contact Line. Langmuir 2018, 34 (25), 7497–7502.
(7) Liang, H.; Cao, Z.; Wang, Z.; Dobrynin, A. V. Surface Stress and Surface Tension in Polymeric Networks. ACS Macro Lett. 2018, 7 (1), 116–121.
(6) Jacobs, M.; Liang, H.; Pugnet, B.; Dobrynin, A. V. Molecular Dynamics Simulations of Surface and Interfacial Tension of Graft Polymer Melts. Langmuir 2018, 34 (43), 12974–12981.
(5) Wang, Z.; Liang, H.; Dobrynin, A. V. Computer Simulations of Continuous 3-D Printing. Macromolecules 2017, 50 (19), 7794–7800.
(4) Vatankhah-Varnosfaderani, M.; Daniel, W. F.; Everhart, M. H.; Pandya, A. A.; Liang, H.; Matyjaszewski, K.; Dobrynin, A. V.; Sheiko, S. S. Mimicking Biological Stress–Strain Behaviour with Synthetic Elastomers. Nature 2017, 549 (7673), 497–501.
(3) Liang, H.; Cao, Z.; Wang, Z.; Sheiko, S. S.; Dobrynin, A. V. Combs and Bottlebrushes in a Melt. Macromolecules 2017, 50 (8), 3430–3437.
(2) Liang, H.; Cao, Z.; Dobrynin, A. V. Molecular Dynamics Simulations of the Effect of Elastocapillarity on Reinforcement of Soft Polymeric Materials by Liquid Inclusions. Macromolecules 2016, 49 (18), 7108–7115.
(1) Ling, S.#; Liang, H.#; Li, Z.; Ma, L.; Yao, J.; Shao, Z.; Chen, X. Soy Protein-Directed One-Pot Synthesis of Gold Nanomaterials and Their Functional Conductive Devices. J. Mater. Chem. B. 2016, 4 (21), 3643–3650.