1. Zhang, Z.; Li, H.; Guo, Y.; Xue, Y.-H.; Liu, H.*, Influence of activation/deactivation process on surface-initiated atom transfer radical polymerization: An in silico investigation. Giant 2025, 21, 100345.
2. Zhou, T.; Wang, Y.; Zhou, J.; Yao, L.; He, K.; Chen, L.; Zhang, S.; Liu, H.; Chen, X.*; Cui, S.*, Inorganic Hydrogels can be Flexible and Highly Extensible. Adv. Mater. 2025, 2503910.
3. Xiong, X.; Xue, M.; Xue, L.; Zhang, L.; Zhang, Z.; Chen, J.; Zhang, G.; Liu, H.; Cui, J.*, Evaporation-Assisted Synthesis of Olympic Gels. Angew. Chem. Int. Ed. 2025, 64 (22), e202425034.
4. Li, J.; Wei, Y.; Lai, Q.; Li, X.; Wang, Y.; Wang, X.; Chen, Y.; Liu, H.; Yang, K.*; Yuan, B.*, Efficacy of a resveratrol nanoformulation prepared by a facile solvent-free method. Nanoscale 2025, 17, 12937-12949.
5. Li, H.; Xue, Z.-J.; Xue, Y.-H.; Li, Y.*; Liu, H., Topological Structure Evolution of Polymer Network Based on Star-shaped Multi-armed Precursors. Chin. J. Polym. Sci. 2025, DOI: 10.1007/s10118-025-3324-8.
6. Xing, J.-Y.; Li, S.; Liu, B.*; Liu, H.*; Zhu, Y.-L.*, Polymerization-Induced Self-Assembly for Modulating Assembly Pathways and Microstructures of Amphiphilic Gradient Copolymer Nanoparticles. Macromolecules 2025, 58 (12), 5937-5946.
7. Zhang, Z.; Zhao, W.; Cheng, Z.; Zhang, G.*; Liu, H.*, DNA Topoisomerase-Mediated Formation of DNA Olympic Gel: Kinetics of Catenation, Topological and Mechanical Properties. Macromolecules 2025, 58 (14), 7616-7634.
8. 柴祺娉; 郭宇琦; 高敏惠; 王衍*; 刘鸿*, 补丁纳米粒子聚合诱导自组装行为的模拟研究. 高分子学报 2025, 56 (7), 1234-1246.
9. 张中岩, 刘鸿, Implicit DNA Topoisomerase Ⅱ Simulator to Mimic DNA Ring Interlocking within GALAMOST V1.0. 计算机软件著作权 2025, 2025SR1740661.
10. Cheng, Z.; Peng, L.; Yang, B.; Liu, H.*; Zhou, J.*; Huang, X.*; Zhang, G.*, Synergy in Melting of Initially Disentangled Polymers: Linear versus Ring. Macromolecules 2025.
1. Zhang, Z.; Zhao, W.; Cheng, Z.; Zhang, G.*; Liu, H.*, Olympic Gels Formed through Catenation of DNA Rings Regulated by Topoisomerase II: A Coarse-Grained Model. J. Chem. Phys., 2024, 160(5), 054906.
2. Wang, Y.#; Lu, H.#; Jia, X.-M.#; Shi, A.-C.*; Zhou, J.*; Zhang, G.*; Liu, H.*, Entropy-Induced Localization and Sliding Dynamics of Rings on Polyrotaxane. Macromolecules, 2024, 57(4), 1846-1858.
3. Li, Y.; Zhao, W.; Cheng, Z.; Sun, Z.-Y.*; Liu, H.*, Structural heterogeneity in tetra-armed gels revealed by computer simulation: Evidence from a graph theory assisted characterization. J. Chem. Phys., 2024, 160 (14), 144902.
4. Mao, J.; Zhou, J.*; Liu, H.*, One-pot strategy for the preparation of nanoparticles grafted with bimodal polymers: An in-silico insight. Compos. Sci. Technol., 2024, 251, 110583.
5. Li, Y.#; Li, Y.#; Yan, R.; Zhang, L.; Liu, H.; Tan, J.*, Chain Architecture as an Orthogonal Parameter to Tune Morphologies of Polymer Assemblies: Efficient Synthesis and Self-Assembly of Linear-Branched Block Copolymers via RAFT Dispersion Polymerization. Macromolecules 2024, 57 (11), 5175-5188.
6. Lin, W.; Jia, S.; Li, Y.; Zhang, L.; Liu, H.; Tan, J.*, Aqueous RAFT Dispersion Polymerization Mediated by an ω,ω-Macromolecular Chain Transfer Monomer: An Efficient Approach for Amphiphilic Branched Block Copolymers and the Assemblies. ACS Macro Lett. 2024, 13 (8), 1022-1030.
7. Xia, C.; Zhong, J.; Han, X.; Zhu, S.; Li, Y.; Liu, H.; Yang, B.*, The Formation Mechanism of Carbonized Polymer Dots: Crosslinking-Induced Nucleation and Carbonization. Angew. Chem. Int. Ed. 2024, 63 (44), e202410519.
8. 刘鸿, Simulator of Atom Transfer Radical Polymerization software. 计算机软件著作权 2024, 2024SR0897846.
1. Li, C.-X.; Mao, J.-Y.; Li, S.-J.; Wang, Y.*; Liu, H.* A long chain-induced depletion effect for abnormal grafting in the preparation of bimodal bidisperse polymer-grafted nanoparticles. Phys. Chem. Chem. Phys. 2023, 25 (7), 5627-5637.
2. Cai, X.; Liu, H.; Zhang, G.* Control of the threading ratio of rings in a polypseudorotaxane: A computer simulation study. Polymer 2023, 268, 125705.
3. 薛耀红，贺敏伟，刘鸿*，吕中元，计算机模拟辅助设计聚合物接枝纳米粒子的构筑，科学通报（Chinese Science Bulletin), 2023, 68(7), 729-740.（卓越行动计划梯度类期刊）
4. 刘春; 张国杰*; 王衍*; 刘鸿*. 碳纳米管表面接枝聚合物动力学的粗粒化模拟研究. 中国科学: 化学 2023, 53(4), 778-788.
5. Li, Z.; Li, H.; Wang, M.; Zhang, Z.; Yang, L.; Ma, L.*; Liu, H.* Preparation and Properties of Poly(butylene adipate-co-terephthalate)/thermoplastic Hydroxypropyl Starch Composite Films Reinforced with Nano-Silica. Polymers 2023, 15 (9), 2026.
6. Peng, J.; Hu, D.; Liu, H.*; Shi, Q.; Bao, P.; Lan, Z.* Studies of nonadiabatic dynamics in the singlet fission processes of pentacene dimer via tensor network method. J. Chem. Phys. 2023, 159 (22).
7. Liu, W.; Zhang, J.*; Liu, H.* Morphology evolution and dynamics of sliding nanodroplets under external forces: A molecular dynamics study. Phys. Fluids 2023, 35 (8), 082010.
8. Feng, R.; Wang, M.; Zhang, Z.; Hu, P.; Wu, Z.; Shi, G.; Xu, B.*; Liu, H.; Ma, L.-J.* Polymer-Based Long-Lived Phosphorescence Materials over a Broad Temperature Based on Coumarin Derivatives as Information Anti-Counterfeiting. ACS Appl. Mater. Interfaces 2023, 15 (25), 30717-30726.
9. 刘鸿. Generator of interlocked ring polymer configuration software. 计算机软件著作权 2023, 2023SR0523738.
1. Lu, H.; Song, W.-Y.; Zou, Y.-Y.; Xu, W.-S.; Yan, Y.-D.; Liu, H.*; Ma, L.-J.* Kinetics and morphologies in polymerization-induced cooperative assembly: a computer simulation investigation. Polym. Int. 2022, 71 (4), 359-365.
2. Song, W.-Y.#; Lu, H.#; He, J.-W.; Zhu, Z.-J.; He, S.-Y.; Liu, D.-H.; Liu, H.; Wang, Y.* Dynamics and morphology of self-assembly behavior of polymer-grafted nanoparticles: a dissipative particle dynamics simulation study. Polym. Int., DOI:10.1002/pi.6437.
3. Cai, X.; Liang, C.; Liu, H.; Zhang, G.* Conformation and structure of ring polymers in semidilute solutions: A molecular dynamics simulation study. Polymer 2022, 253, 124953.
4. Huang, M.; Xiong, E.*; Wang, Y.; Hu, M.; Yue, H.; Tian, T.; Zhu, D.; Liu, H.; Zhou, X.* Fast microwave heating-based one-step synthesis of DNA and RNA modified gold nanoparticles. Nat. Commun. 2022, 13 (1), 968.
5. Li, Y.; Lu, H.; Zhang, Z.-Y.; Liu, H.*; Sun, Z.-Y.* Network formation and mechanical stretching of nanocomposite fabricated by crosslinking reaction of polymer-grafted nanoparticles. Compos. Sci. Technol. 2022, 227, 109605.
6. Liang C.-X.; Lu, H.; Huang, B.-Y.; Xing, J.-Y.; Gu, F.-L.; Liu, H.* Physical Insight for Grafting Polymer Chains onto the Substrate via Computer Simulations: Kinetics and Property. Chin. J. Polym. Sci. 2022, 40 (7), 817-833.
7. Mao, Y.; Liu, H.; Long Gu, F.; Wu, M.-X.*; Wang, Y.* The molecular design of performance-enhanced intraocular lens composites. Biomater. Sci. 2022, 10 (6), 1515-1522.
8. Shi, M.-Y.; Li, C.-X.; Song, W.-Y.; Liu, H.; Xue, Y.-H.*; Wang, Y.* Understanding of supramolecular solution polymerization and interfacial polymerization via forming multiple hydrogen bonds: a computer simulation study. Soft Matter 2022, 18 (29), 5446-5458.
9. Yang, J.; Wang, Y.; Qian, H.-J.; Lu, Z.-Y.; Gong, Z.; Liu, H.; Cui, S.* Force-induced hydrogen bonding between single polyformaldehyde chain and water. Polymer 2022, 253, 125007.
10. Lu, H.; Chen, R.; He, M.-W.; Liu, H.; Xue, Y.-H.* A possible strategy for generating polymer chains with entanglement-free structure. Soft Matter 2022, 18(36), 6888-6898.
1. 刘鸿*; 朱有亮; 吕中元, 高分子界面聚合动力学模拟研究进展. 高分子学报, 2021, 52 (6), 565-577.
2. Xing, J.-Y.; Li, S.; Ma, L.-J.; Gao, H.-M.*; Liu, H.*; Lu, Z.-Y., Understanding of supramolecular emulsion interfacial polymerization in silico. J. Chem. Phys. 2021, 154 (18), 184903.
3. Wang, Y.; Gan, H.-L.; Liang, C.-X.; Zhang, Z.-Y.; Xie, M.; Xing, J.-Y.; Xue, Y.-H.; Liu, H.*, Network structure and properties of crosslinked bio-based epoxy resin composite: An in-silico multiscale strategy with dynamic curing reaction process. Giant 2021, 7, 100063.
1. Huang, L.; Zhang, L.; Song, J.*; Wang, X.; Liu, H.*, Superhydrophobic Nickel-Electroplated Carbon Fibers for Versatile Oil/Water Separation with Excellent Reusability and High Environmental Stability. ACS Appl. Mater. Interfaces 2020, 12 (21), 24390-24402.
2. Liu, H.; Xue, Y.-H.; Zhu, Y.-L.; Gu, F.-L.; Lu, Z.-Y.*, Inverse Design of Molecular Weight Distribution in Controlled Polymerization via a One-Pot Reaction Strategy. Macromolecules 2020, 53 (15), 6409-6419.
3. Wu, J.-B.; Liu, H.*; Lu, Z.-Y.*, Simulation Study of Process-Controlled Supramolecular Block Copolymer Phase Separation with Reversible Reaction Algorithm. Polymers. 2020, 12 (3), 528.
4. Xue, Y.-H.; He, M.-W.; Liu, X.-L.; Xing, J.-Y.; Liu, H.*, Preparation of nanoparticles grafted with bimodal-bidisperse polymers in nanocomposite. Compos. Sci. Technol. 2020, 197, 108250.
5. Yi, C.; Liu, H.; Zhang, S.; Yang, Y.; Zhang, Y.; Lu, Z.; Kumacheva, E.*; Nie, Z.*, Self-limiting directional nanoparticle bonding governed by reaction stoichiometry. Science 2020, 369 (6509), 1369-1374.
6. Zhang, N.; Yu, L.; Li, Y.-C.; Liu, H.*; Lu, Z.-Y.*, Novel nano-patterned structures of mixed hairy nanoparticles in single layer. Polymer 2020, 192, 122295.
7. Xiao, Q.; Xi, Y.; Wang, J.; Tu, D.; You, W.; Ye, X.; Liu, H.*; Chen, X.*; Lin, H.*, Combined In Situ Spectroscopies Reveal the Ligand Ordering-Modulated Photoluminescence of Upconverting Nanoparticles. J. Phys. Chem. C 2020, 124 (42), 23086.
1. Song, J.-L.; Li, Y.-X.; Xu, W.; Liu, H.*; Lu, Y.*, Inexpensive and Non-Fluorinated Superhydrophobic Concrete Coating for Anti-Icing and Anti-Corrosion, J. Colloid Interface Sci., 2019, 541, 86-92.
2. Song, J.; Liu, Z.; Wang, X.; Liu, H.*; Lu, Y.; Deng, X.; Carmalt, C. J.; Parkin, I. P., High-efficiency bubble transportation in an aqueous environment on a serial wedge-shaped wettability pattern. J. Mater. Chem. A, 2019, 7 (22), 13567-13576.
3. Wu, J.-B.; Li, S.-J.; Liu, H.*; Qian, H.-J.; Lu, Z.-Y.*, Dynamics and Reaction Kinetics of Coarse-Grained Bulk Vitrimers: A Molecular Dynamics Study. Phys. Chem. Chem. Phys., 2019, 21(24), 13258-13267.
4. 刘鸿; 张厚玉; 胡中汉; 钱虎军; 吕中元*, 超分子体系中自组装基元的相互作用与理论设计. 中国科学: 化学, 2019, 49(2), 299-310.
5. Xing, J.-Y.; Xue, Y.-H.; Lu, Z.-Y.*; Liu, H.*, In-Depth Analysis of Supramolecular Interfacial Polymerization via a Computer Simulation Strategy. Macromolecules, 2019, 52 (17), 6393-6404.
6. Yan, Y.-D.; Xue, Y.-H.; Zhao, H.-Y.; Liu, H.*; Lu, Z.-Y.; Gu, F.-L., Insight into the Polymerization-Induced Self-Assembly via a Realistic Computer Simulation Strategy. Macromolecules 2019, 52 (16), 6169-6180.
7. Song, J.; Huang, L.; Zhao, C.; Wu, S.; Liu, H.*; Lu, Y.; Deng, X.; Carmalt, C. J.; Parkin, I. P.; Sun, Y.*, Robust Superhydrophobic Conical Pillars from Syringe Needle Shape to Straight Conical Pillar Shape for Droplet Pancake Bouncing. ACS Appl. Mater. Interfaces 2019, 11 (48), 45345-45353.
1. Gao, H.; Liu, H.; Qian, H.-J.; Jiao, G.-S.; Lu, Z.-Y.*, Multiscale Simulations of Ligand Adsorption and Exchange on Gold Nanoparticles. Phys. Chem. Chem. Phys. 2018, 20(3), 1381-1394.
2. Xing, J.-Y.; Lu, Z.-Y.; Liu, H.*; Xue, Y.-H., The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study. Phys. Chem. Chem. Phys. 2018, 20(3), 2066-2074.
3. Xu, D.; Ni, C.-Y.; Zhu, Y.-L.; Lu, Z.-Y.; Xue, Y.-H.; Liu, H.*, Kinetic step-growth polymerization: A dissipative particle dynamics simulation study. J. Chem. Phys. 2018, 148 (2), 024901.
4. Fan, J.-B.#; Liu, H.#; Song, Y.#; Luo, Z.; Lu, Z.-Y.*; Wang, S.-T.*, Janus Particles Synthesis by Emulsion Interfacial Polymerization: Polystyrene as Seed or Beyond. Macromolecules 2018, 51(5), 1591-1597.
5. Zhang, L.-H.; Li, W.-C.; Liu, H.; Wang, Q.-G.; Tang, L.; Hu, Q.-T.; Xu, W.-J.; Qiao, W.-H.; Lu, Z.-Y.; Lu, A.-H.*, Thermoregulated Phase-Transition Synthesis of Two-Dimensional Carbon Nanoplates Rich in sp2 Carbon and Unimodal Ultramicropores for Kinetic Gas Separation. Angew. Chem. Int. Ed., 2018, 57(6), 1632-1635.
6. Liu, H.; Zhao, H.-Y.; Müller-Plathe, F.; Qian, H.-J.; Sun, Z.-Y.; Lu, Z.-Y.*, Distribution of the Number of Polymer Chains Grafted on Nanoparticles Fabricated by Grafting-to and Grafting-from Procedures. Macromolecules 2018, 51 (10), 3758-3766.
7. Zhu, Y.-L.; Pan, D.; Li, Z.-W.; Liu, H.; Qian, H.-J.; Zhao, Y.; Lu, Z.-Y.*; Sun, Z.-Y., Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST. Mol. Phys. 2018, 116 (7-8), 1065-1077.
8. Li, L.; Han, C.; Xu, D.; Xing, J.-Y.; Xue, Y.-H.*; Liu, H., Polymer-grafted nanoparticles prepared via a grafting-from strategy: a computer simulation study. Phys. Chem. Chem. Phys. 2018, 20(27), 18400-18409.
9. Wang, D.; Yu, C.; Xu, L.; Shi, L.; Tong, G.; Wu, J.; Liu, H.; Yan, D.; Zhu, X.*, Nucleoside Analogue-Based Supramolecular Nanodrugs Driven by Molecular Recognition for Synergistic Cancer Therapy. J. Am. Chem. Soc. 2018, 140 (28), 8797-8806.
10. Xu, J.; Xue, Y.-H.; Cui, F.-C.; Liu, H.*; Lu, Z.-Y.*, Simultaneous polymer chain growth with the coexistence of bulk and surface initiators: insight from computer simulations. Phys. Chem. Chem. Phys. 2018, 20(35), 22576-22584.
11. Kong, S.-M.; Liu, H.*, Xue, Y.-H.; Liu, X.-L.; Jia, X.-X.; Cui, F.-C.*, Polymerization-induced polymer aggregation or polymer aggregation-enhanced polymerization? a computer simulation study. Phys. Chem. Chem. Phys. 2018, 20(37), 24379-24388.
1. Pei, H.-W.; Liu, X.-L.; Liu, H.*; Zhu, Y.-L.; Lu, Z.-Y., Enhancement of surface nonwettability by grafting loops. Phys. Chem. Chem. Phys., 2017, 19 (6), 4710-4718.
2. Fan, J.-B.; Song, Y.; Liu, H.; Lu, Z.; Zhang, F.; Liu, H.; Meng, J.; Gu, L.; Wang, S.*; Jiang, L., A general strategy to synthesize chemically and topologically anisotropic Janus particles. Sci. Adv. 2017, 3 (6), e1603203.
3. 徐婉珍，邱春孝，黄卫红，刘鸿，杨文明*，量子点荧光印迹传感器的计算机模拟设计、制备及检测河水中４-硝基苯酚的应用，高等学校化学学报，2017, 38(7), 1155-1162.
4. Xue, Y.-H.; Quan, W.; Liu, X.-L.; Han, C.; Li, H.; Liu, H.*, Dependence of Grafted Polymer Property on the Initiator Site Distribution in Surface-Initiated Polymerization: A Computer Simulation Study. Macromolecules 2017, 50 (17), 6482-6488.
5. From Molecular-Level Organization to Nanoscale Positioning: Synergetic Ligand Effect on the Synthesis of Hybrid Nanostructures, Di Xiang, Hong Liu, Lei Yang Jiaqi Zhu, Zhongyuan Lu, Ying Hou and Ming Yang*, Adv. Func. Mater., 2017, 27, 1703006.
6. Li, S.; Zhang, Y.; Liu, H.; Yu, C.; Zhou, Y.; Yan, D., Asymmetric Polymersomes from an Oil-in-Oil Emulsion: A Computer Simulation Study. Langmuir 2017, 33 (38), 10084-10093.
1. Xu, D.; Liu, H.*; Zhu, Y.-L.; Lu, Z.-Y.*, Three-dimensional inverse design of nanopatterns with block copolymers and homopolymers. Nanoscale 2016, 8 (9), 5235-5244.
2. Pei, H.-W.; Liu, H.*; Zhu, Y.-L.; Lu, Z.-Y., Understanding the wettability of a hairy surface: effect of hair rigidity and topology, Phys.Chem.Chem.Phys. 2016, 18(28), 18767-18775.
3. Liu, H.*; Zhu, Y.-L.; Lu, Z.-Y.; Müller-Plathe, F., A kinetic chain growth algorithm in coarse-grained simulations, J. Comput. Chem. 2016, 37(30), 2634-2646.
1. Xu, D.; Liu, H*.; Xue, Y.-H.; Sun, Y.-B., Self-assembly of block copolymers on lithographically patterned template with ordered posts. Phys. Chem. Chem. Phys. 2015, 17 (47), 31830-31838.
2. Xue, Y.-H.; Quan, W.; Qu, F.-H.; Liu, H*., Conformation of polydispersed chains grafted on nanoparticles. Mol. Simulat. 2014, 41 (4), 298-310.
3. Pei, H.-W.; Liu, H*.; Lu, Z.-Y.*; Zhu, Y.-L., Tuning surface wettability by designing hairy structures. Phys. Rev. E 2015, 91 (2), 020401.
1. “Rational design and preparation of magnetic imprinted polymers for removal of indole by molecular simulation and improved atom transfer radical polymerization”，Liu, Lukuan; Cao, Yang; Ma, Pengfei; Qiu, Chunxiao; *Xu, Wanzhen; Liu, Hong; Huang, Weihong， RSC Advance, 2014, 4(2), 605-616.
2. “Orientation and surface activity of Janus particles at fluid-fluid interfaces”, Huimin Gao, Zhongyuan Lu, Hong Liu, Zhaoyan Sun, Lijia An, , J. Chem. Phys., 2014, 141, 134907.
3. “聚氨酯制备的多尺度模拟方案”, 孙延波, 杨斌, 安哲, 于春雷, 薛耀红, 刘鸿, 物理化学学报，2014， 30（11）， 2035-2042.
4. “The thermosetting resin prepared by curing reaction of typical soybean oil and properties of the product network structures: a multiscale simulation study”, Bin Liu, Dong Liu, Yao-Hong Xue, Hong Liu*, Mol. Simulat., 2014, 40(4), 285-294.
5. “Strategy of fabrication of controlled thermosetting gel based on soybean oil towards supercritical carbon dioxide foaming”, Pu Xie, Hong Liu, Shou Ji Qiu, Min Zhi Rong,* Ming Qiu Zhang,* Zhong Yuan Lu and Su Ping Wu, Green Chemistry, 2014, 16, 1225-1235.
6. “Temperature Dependence of Polypropylene Configurations”, Zhi-Ping Zhou, Wen-Ming Yang, De-Yue Yan, Hong Liu, Macromol. Theor. Simul., 2014, 23(2), 76-83.
7. 分子模拟辅助设计磁敏型分子印迹聚合物的制备及性能研究, 刘路宽; 杨文明; 徐婉珍; 周志平; 刘鸿; 闫永胜, 分析化学，2014， 2， 249-257.
8. “Competition of Diffusion and Crosslink on the Interphase Region in Carbon Fiber/Epoxy Analyzed by Multiscale Simulations,”, Li, Min; Gu, Yi-Zhuo; Li, Yan-Xia; Liu, Hong; Zhang, Zuo-Guang, J. Appl. Polym. Sci., 131(7), 2014.
9. “Adjusting the inter-particle spacing of a nanoparticle array at the sub-nanometre scale by thermal annealing”, J. Zhou, Hong Liu, T. Wang, Y. Li, J. Zhang*, Z. Lu*, Y. Fu*, F. Li, Chem. Commun, 2014, 50, 14547.
1. Hong Liu, Min Li, Zhong-Yuan Lu*, Zuo-Guang Zhang, Chia-Chung Sun, The Influence of Surface Initiated Polymerization Rate and Initiator Density on the Properties of Polymer Brushes, Macromolecules, 2009, 42, 2863.
2. Hong Liu, Min Li*, Zhong-Yuan Lu*, Zuo-Guang Zhang, Chia-Chung Sun, Tian Cui, A multiscale simulation study on the curing reaction and the network structure in typical epoxy system, Macromolecules, 2011, 44(21), 8650-8660.
3. Hong Liu, Yao-Hong Xue, Hu-Jun Qian, Zhong-Yuan Lu*, Chia-Chung Sun, A Practical Method to Avoid Bond Crossing in Two-dimensional Dissipative Particle Dynamics Simulations, J. Chem. Phys., 2008, 129, 024902.
4. Hong Liu, Hu-Jun Qian, Ying Zhao, Zhong-Yuan Lu*, Dissipative Particle Dynamics Simulation Study on the Binary Mixture Phase Separation Coupled With Polymerization, J. Chem. Phys., 2007, 127, 144903.
5. Hong Liu, Zhong-Yuan Lu*, A study of chemical reactions in coarse-grained simulations (Cover article), Front. Chem. China, 2011, 6(4), 300-309.
6. Hong Liu, Hui Li, Zhong-Yuan Lu*, Incorporating Chemical Reactions in Dissipative Particle Dynamics Simulations, Procedia Comput. Sci., 2011, 4, 1021.
7. Bin Li, You-Liang Zhu, Hong Liu*, Zhong-Yuan Lu*, Brownian dynamics simulation study on the self-assembly of incompatible star-like block copolymers in dilute solution, Phys. Chem. Chem. Phys., 2012, 14, 4964-4970.
8. You-Liang Zhu, Hong Liu*, and Zhong-Yuan Lu*, A highly coarse-grained model to simulate entangled polymer melts”, J. Chem. Phys., 2012, 136, 144903.
9. Jing-Ming Zhang, Hui Li, Hong Liu*, Chia-Chung Sun, Dissipative Particle Dynamics Simulation Study on Controlling Molecular Weight Distribution in Emulsion Polymerization, J. Theor. Comput. Chem., 2011, 10(5), 615-628.
10. Yan-Chun Li, Hong Liu*, Xu-Ri Huang and Chia-Chung Sun, Evaporation-and surface-induced morphology of symmetric diblock copolymer thin films: a multibody dissipative particle dynamics study, Mol. Simulat., 2011, 37, 875.
11. Hui Li, Jing Zhang, Hong Liu*, Chia-chung Sun, Nondriven polymer translocation through a nanopore: Scaling for translocation time with chain length，Chem. Res. Chin. Univ., 2011, 27(6), 1023-1026.
12. 刘玉华，李敏，刘鸿*，吕中元，张佐光，活化/去活化过程对高密度表面引发聚合反应动力学的影响，高等学校化学学报，2010, 31, 2458.
13. 李慧，张静，刘鸿*，孙家钟，遥爪型聚合物交联反应的耗散粒子动力学模拟，高等学校化学学报，2011, 32, 2410.
14. Yao-Hong Xue, Hong Liu, Zhong-Yuan Lu*, Xue-Zhang Liang, Layered structure in compatible binary polymer brushes with high graft density: A computer simulation study, J. Chem. Phys., 2010, 132, 044903.
15. Ying Zhao, Hong Liu, Zhong-Yuan Lu*, Chia-Chung Sun, Dissipative Particle Dynamics Simulations of Domain Growth and Phase Separation in Binary Immiscible Fluids, Chin. J. Chem. Phys., 2008, 21, 451
16. Ying-Tao Liu, Hong Liu, Yu-Hua Liu, Zhong-Yuan Lu, Influence of Solvent Size on Structure Properties of Bottle-brush Polymers, Chem. Res. Chin. Univ, 2010, 26, 838.
17. 刘玉华，刘鸿，刘靖尧，吕中元*，乙烯丙烯自由基共聚反应的多尺度模拟模型，高等学校化学学报，2011, 32, 332.
18. 李延春，刘鸿，黄旭日*，孙家钟，均聚物链吸附在胶束表面上的非平衡态耗散粒子动力学研究均聚物链吸附在胶束表面上的非平衡态耗散粒子动力学研究，高等学校化学学报，2011, 32, 1845.
19. Hui Li, Hong Liu, Zhong-Yuan Lu*, Qin Wang, Chia-Chung Sun, The effect of viscosity on the phase separation dynamics of binary immiscible mixture coupled with reversible reaction, Int. J. Mod. Phys. C, 2010, 21, 1479.
20. 李延春，刘鸿，黄旭日*，孙家钟，嵌段共聚物组成对薄膜形貌影响的多体耗散粒子动力学研究, 高等学校化学学报，2011, 32, 2421.
21. 王永雷，李占伟，刘鸿，吕中元*，耗散粒子动力学模拟方法在软物质体系研究中的一些进展与应用（约稿综述），物理学进展，2011, 31，1.
22. Ying-Tao Liu, Ying Zhao, Hong Liu, Yu-Hua Liu, Zhong-Yuan Lu*, Spontaneous fusion betwee the vesicles formed by A2n(B2)n type comb-like block copolymers with semi-flexible hydrophobic backbone, J. Phys. Chem. B, 2009, 113, 15256.
23. 陈弢，刘鸿*，吕中元，三嵌段共聚物自组装结构的分子调控, 吉林大学学报（理学版），2012, 50(4), 798-804.
24. Hong Liu, You-Liang Zhu, Jing Zhang, Zhong-Yuan Lu, Zhao-Yan Sun, Influence of Grafting Surface Curvature on Chain Polydispersity and Molecular Weight in Concave Surface-Initiated Polymerization, ACS Macro Lett., 2012, 1, 1249-1253.