Xu-Ze Zhang, Zhong-Yuan Lu, and Hu-Jun Qian*，“A Perspective on the Dynamics Properties in Polymer Nanocomposites”，Chinese J. Polym. Sci., 41, 1355–1360.
Zhao Qian, Rui Shi, Zhong-Yuan Lu*, Hu-Jun Qian*, “Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation”, J. Chem. Phys., 2023, 159, 124901.
Bin Li, Huimin Gao* and Zhong-Yuan Lu* ，"Janus polymer-grafted nanoparticles mimicking membrane repair proteins for the prevention of lipid membrane rupture", Nanoscale, 2023, 15, 9775-9782.
Zhao Qian, You-Liang Zhu, Zhong-Yuan Lu, and Hu-Jun Qian*，"Unexpected Solvent Effect Leading to Interface Segregation of Single-Chain Nanoparticles in All-Polymer Nanocomposite Films upon Solvent Evaporation", Macromolecules, 2023, 56, 2175–2182.
Chunlei Xia, Jialin Li, Zhao Qian, Fengrui Xu, Yunfeng Li, Shoujun Zhu, Hu-jun Qian*, Chengji Zhao*, Zhong-Yuan Lu, Bai Yang*，"Carbonized Polymer Dots Assemble in Proton-Conducting Channels to Enhance the Conductivity and Selectivity Simultaneously for High-Performance Fuel Cells", Small, 2023, 2205291.
Yi-Lin Li, Xiang-Meng Jia, Xu-Ze Zhang, Zhong-Yuan Lu and Hu-Jun Qian*，"Effect of the polar group content on the glass transition temperature of ROMP copolymers", Soft Matter, 2023, 19, 128-136.
2022:
Xiang-Kun Yu, Huan-Yu Zhao, Jun-Peng Li*, Xing-Ji Li, Jian-Qun Yang, You-Liang Zhu*, and Zhongyuan Lu*，"Mechanism for Topology Selection of Isomeric Two-Dimensional Covalent Organic Frameworks", J. Phys. Chem. Lett., 2022, 13, 7087–7093.
2021:
Lin-Xiu-Zi Yu, Ni-Bo-Qia Zhang, Ning-Ning Zhang, Qian-Qian Gu, Yao Xue, Yu-Xi Wang, Cheng-Long Han, Kun Liu, Zhao-Yan Sun, Hu-Jun Qian*, Zhong-Yuan Lu*, "Solvent-Evaporation Induced and Mechanistic Entropy-Enthalpy-Balance Controlled Polymer Patch Formation on Nanoparticle Surfaces", J. Phys. Chem. Lett., 2021, 12, 7100–7105.
Duo Xu, Rui Shi*, Zhao-Yan Sun,Zhong-Yuan Lu*, "Mechanism of periodic field driven self-assembly process", J. Chem. Phys., 2021, 154, 144904.
Ji-Yuan Xing, Sheng Li, Li-Jun Ma, Hui-Min Gao*, Hong Liu*, Zhong-Yuan Lu "Understanding of supramolecular emulsion interfacial polymerization in silico", J. Chem. Phys., 2021, 154, 184903.
Hui-Min Gao, Kun Liu, Zhong-Yuan Lu*, "Polymerization-Induced Reassembly of Gemini Molecules toward Generating Porous Two-Dimensional Polymers", J. Phys. Chem. Lett., 2021, 12, 4542-4547.
2020:
Cheng-Lin Yi, Hong Liu, Shao-Yi Zhang, Yi-Qun Yang, Yan Zhang, Zhong-Yuan Lu, Eugenia Kumacheva*, Zhi-Hong Nie*, "Self-limiting directional nanoparticle bonding governed by reaction stoichiometry", Science , 2020, 369, 1369-1374.
Bing-Yu Li, Yan-Chun Li, Zhong-Yuan Lu*, "Spontaneous Formation of Moiré Patterns through Self-Assembly of Janus Nanoparticles", J. Phys. Chem. Lett., 2020, 11, 4542-4547.
Hui-Min Gao, Bing Li, Ran Zhang, Zhao-Yan Sun*, Zhong-Yuan Lu*, "Free energy for inclusion of nanoparticles in solvated polymer brushes from molecular dynamics simulations", J. Chem. Phys., 2020, 152, 094905.
Mei-Ting Li, Huan-Yu Zhao*, Zhong-Yuan Lu, "Highly efficient, reversible iodine capture and exceptional uptake of amines in viologen-based porous organic polymers", RSC Adv., 2020, 10, 20460.
Rui-Shi*, Shu-Jia Li*, Linxiuzi Yu, Hu-Jun Qian*, Zhong-Yuan Lu, "Physical insights into stress–strain process of polymers under tensile deformation via machine learning", Soft Materials, 2020, DOI: 10.1080/1539445X.2020.1741387.
Paula Carbone, Roland Faller*, Hu-Jun Qian, Dirk Reith, "Editorial: tailor-made approaches on use of multiscale modeling for research on soft materials-capabilities, restrictions and future possibilities", Soft Materials, 2020, DOI: 10.1080/1539445X.2020.1746337.
Xiang-Meng Jia, Hu-Jun Qian*, Zhong-Yuan Lu, "The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study", Phys. Chem. Chem. Phys., 2020, 22, 11400.
Inho Kim, Rui-Shi, Yeonji Choe, Eun Ji Kim, Bumjoon J.Kim, Hu-Jun Qian*, Sheng-Li*, "Stabilization of complex morphologies in highly disperse AB diblock copolymers", Polymer, 2020, 198, 122519.
Yue-Yuan Zhang, Xiang-Meng Jia, Rui Shi, Shu-Jia Li, Huan-Yu Zhao*, Hu-Jun Qian*, Zhong-Yuan Lu, "Synthesis of Polymer Single-Chain Nanoparticle with High Compactness in Cosolvent Condition: A Computer Simulation Study", Macromol. Rapid Commun., 2020, 1900655.
Jian-Bo Wu, Hong Liu*, Zhong-Yuan Lu*, "Simulation Study of Process-controlled Supramolecular Block Copolymer Phase Separation with Reversible Reaction Algorithm", Polymers, 2020, 12, 528.
Ni-Bo-Qia Zhang, Lin-Xiu-Zi Yu, Yan-Chun Li, Hong Liu*, "Novel nano-patterned structures of mixed hairy nanoparticles in single layer", Polymer, 2020, 192, 122295.
Guo-Hua Zhang, Bing-Yu Li, Yan Zhou, Xiao-Fei Chen, Bao Li, Zhong-Yuan Lu*, Lixin Wu*, "Processing supramolecular framework for free interconvertible liquid separation", Nature Commun., 2020, 11, 425.
Zhan-Wei Li, Yu-Wei Sun, Yan-Hui Wang, You-Liang Zhu, Zhong-Yuan Lu, Zhao-Yan Sun*, "Kinetics-controlled design principles for two-dimensional open lattices using atom-mimicking patchy particles", Nanoscale, 2020, 12, 4544-4551.
Bing-Yu Li, Li Zhao*, Zhong-Yuan Lu*, "Microscopic Characteristics of Janus Nanoparticle Prepared via Grafting-From Reaction at Immiscible Liquid Interface", Phys. Chem. Chem. Phys., 2020, 22, 5347-5354.
Mei-Ting Li, Huan-Yu Zhao*, Zhong-Yuan Lu, "Porphyrin-based porous organic polymer, Py-POP, as a multifunctional platform for efficient selective adsorption and photocatalytic degradation of cationic dyes", Microporous & Mesoporous Materials, 2020, 292, 109774.
Hua Yu, Shao-Yong Liu, Huimin Gao, Zhong-Yuan Lu*, Kun Liu*, "General Criteria for Evaluating Suitable Polymer Ligands for the Synthesis of Aluminum Nanocrystals", Chem. Commun., 2020, 56, 217-220.
Su-Min Ma, Li Zhao, Yong-Lei Wang*, You-Liang Zhu, Zhong-Yuan Lu*, "The coarse-grained models of poly(ethylene oxide) and poly(propylene oxide) homopolymers and poloxamers in big multipole water (BMW) and MARTINI frameworks", Phys. Chem. Chem. Phys., 2020, 22, 15976.
Yu-Yang Tian, Jian Song, You-Liang Zhu, Huan-Yu Zhao, Faheem Muhammad, Ting-Ting Ma, Mo Chen, Guang-Shan Zhu*, "Understanding the desulphurization process in an ionic porous aromatic framework", Chem. Sci., 2019, 10, 606.
Duo Xu, Li Zhao, Kuo Zhang, Zhong-Yuan Lu*, "Dynamic Self-assembly of Block Copolymers Regulated by Time-varying Building Block Composition via Reversible Chemical Reaction", Science China Chemistry, 2019, 62, 1666-1674.
Tao Chen, Huan-Yu Zhao, Rui Shi, Wen-Feng Lin, Xiang-Meng Jia, Hu-Jun Qian*, Zhong-Yuan Lu, Xing-Xing Zhang, Yan-Kai Li, and Zhao-Yan Sun, "An unexpected N-dependence in the viscosity reduction in all-polymer nanocomposite", Nature Commun., 2019, 10, 5552.
Hui-Min Gao, Hong Liu, Ran Zhang, Zhong-Yuan Lu*, "Structure Evolution of Binary Ligands on Nanoparticles Triggered by Competition Between Adsorption Reaction and Phase Separation", J. Phys. Chem. B2019, 123, 10311-10321.
Rui Shi, Hu-Jun Qian*, Zhong-Yuan Lu*, "Interfacial tuning of the cavitation and strain-softening behavior of polymer/nanoparticle composites in the glassy state", Macromolecules, 2019, 52, 7353-7360.
Qian Lu, Wan-Hao Cai, Duo Xu, Bao Yu, Zhong-Yuan Lu, Shu-Xun Cui*, "Single-molecule Studies Reveal that Water Is a Special Solvent for Amylose and Natural Cellulose", Macromolecules, 2019, 52, 5006-5013.
Ni An, Xiao-Han Wang, Yi-Xuan Li, Ling Zhang, Zhong-Yuan Lu, Jun-Qi Sun*, "Healable and Mechanically Super-Strong Polymeric Composites Derived from Hydrogen-Bonded Polymeric Complexes", Advanced Materials, 2019, 31, 1904882.
Yang Li, Hui-Min Gao, Huan Yu, Ke Jiang, Hua Yu, Yang Yang, Yu Song, Wen-Ke Zhang, Heng-Chong Shi, Zhon-Yuan Lu, Kun Liu*, "Two Dimensional Polymers with Versatile Functionalities via Gemini Monomers", Science Advances, 2019, 5, eaaw9120.
Yi-Xin Chang, Ning-Ning Zhang, Yu-Chen Xing, Qing-Feng Zhang, Aram Oh, Hui-Min Gao, Yun Zhu, Hionsuck Baik, Byeongyoon Kim, Yang Yang, Wei-Shun Chang, Tianmeng Sun, Junhu Zhang, Zhong-Yuan Lu, Kwangyeol Lee, Stephan Link, and Kun Liu*, "Gold Nanotetrapods with Unique Topological Structure and Ultra-Narrow Plasmonic Band as Multifunctional Therapeutic Agents", J. Phys. Chem. Lett., 2019, 10, 4505-4510.
Ji-Yuan Xing, Yao-Hong Xue, Zhong-Yuan Lu*, and Hong Liu*, "In-Depth Analysis of Supramolecular Interfacial polymerization via a Computer Simulation Strategy", Macromolecules2019, 52, 6393−6404.
Yu-Dou Yan, Yao-Hong Xue, Huan-Yu Zhao*, Hong Liu*, Zhong-Yuan Lu*, Feng-Long Gu, "Insight into the Polymerization-Induced Self-Assembly via a Realistic Computer Simulation Strategy", Macromolecules, 2019, 52, 6169-6180.
Shu-Jia Li, Hu-Jun Qian*, Zhong-Yuan Lu, "A comparative study on dynamic heterogeneity of supercooled polymers under nano-confinements", Physical Chemistry Chemical Physics, 2019, 21, 15888-15898.
Jun Lu, Yao Xue, Rui Shi, Jing Kang, Chao-Yang Zhao, Chun-Yu Wang, Zhong-Yuan Lu*, Kun Liu*, "Nonsacrificial Method for Quantification of Poly(ethylene glycol) Grafting Density on Gold Nanoparticles for Nanomedicine Applications", Chem. Sci., 2019, 10, 2067-2074.
Hai-Na Tan, Shan-Long Li, Ke Li, Chun-Yang Yu*, Zhong-Yuan Lu, Yong-Feng Zhou*, "Shape Transformations of Vesicles Self-Assembled from Amphiphilic Hyperbranched Multiarm Copolymers via Simulation", Langmuir, 2019, 35, 6929−6938.
Kuo Zhang, Hui-Min Gao, Duo Xu, Zhong-Yuan Lu*, "Tethering Solvophilic Blocks to the Ends of Polymer Brushes: An Effective Method for Adjusting Surface Patterns", Soft Matter, 2019, 15, 890-900.
Bo-Wen Shen, You-Liang Zhu, Yongju Kim, Xiao-bin Zhou, Hao-Nan Sun, Zhong-Yuan Lu*, Myongsoo Lee*, "Autonomous helical propagation of active toroids with mechanical action", Nature Commun, 2019, 10, 1080.
Gui-Qing Cheng, Duo Xu, Zhong-Yuan Lu, Kun Liu*, "Chiral Self-Assembly of Nanoparticles Induced by Polymers Synthesized via Reversible Addition-Fragmentation Chain Transfer Polymerization", ACS Nano, 2019, 13(2), 1479-1489.
Wen-Hui He, Hui-Min Gao, Ran Shimoni, Zhong-Yuan Lu, Idan Hod*, "Synergistic Coupling of Anionic Ligands To Optimize the Electronic and Catalytic Properties of Metal–Organic Framework-Converted Oxygen-Evolving Catalysts", ACS Appl. Energy Mater., 2019, 2, 2138-2148.
Song Zhang, Hu-jun Qian, Zhong-Yuan Lu, Zhong-Hua Liu, Hai-Ming Zhang, Shu-Xun Cui*, Li-Feng Chi*, "Towards Unveiling the Exact Molecular Structure of Amorphous Red Phosphorus by Single-molecule Studies", Angew. Chem. Int. Ed., 2019, 58(6), 1659-1663.
Lin-Xiu-Zi Yu, Rui Shi, Hu-Jun Qian*, Zhong-Yuan Lu, "Versatile Fabrication of Patchy Nanoparticles via Patterning of Grafted Diblock Copolymers on NP surface", Physical Chemistry Chemical Physics, 2019, 21, 1417-1427.
Sheng-Fang Lu, Bing-Yu Li, Yan-Chun Li*, Zhong-Yuan Lu, "Computer simulation study on the self-assembly of tethered nanoparticles with tunable shapes", RSC Advances, 2019, 9, 1354-1361.
Rui Shi, Hu-Jun Qian*, Zhong-Yuan Lu, "Tuning cavitation and crazing behavior of polymer nanocomposites containing bimodal grafted nanoparticles at nanoparticle/polymer interface", Physical Chemistry Chemical Physics, 2019, 21, 7115-7126.
Bing-Yu Li, Yan-Chun Li, Zhong-Yuan Lu*, "The important role of cosolvent in the amphiphilic diblock copolymer self-assembly process", Polymer, 2019, 171, 1-7.
Shu-Jia Li, Hu-Jun Qian*, Zhong-Yuan Lu, "A simulation study on the glass transition behavior and the relevant segmental dynamics in free-standing polymer nanocomposite films", Soft Matter, 2019, 15, 4476-4485.
You-Liang Zhu, Zhong-Yuan Lu, Zhan-Wei Li, Zhao-Yan Sun*, Xiao-Kong Liu*, "Effect of the self-assembled structures of hydrated polyzwitterionic and polyanionic brushes on their self-cleaning capabilities", Langmuir, 2019, 35(20), 6669-6675.
Jian-Bo Wu, Shu-Jia Li, Hong Liu*, Hu-Jun Qian, Zhong-Yuan Lu*, "Dynamics and Reaction Kinetics of Coarse-Grained Bulk Vitrimers: A Molecular Dynamics Study", Physical Chemistry Chemical Physics, 2019, 21, 13258-13267.
Wan-Hao Cai, Duo Xu, Lu Qian, Jun-Hao Wei, Chen Xiao, Lin-Mao Qian, Zhong-Yuan Lu, Shu-Xun Cui*, "Force-induced Transition of π-π Stacking in a Single Polystyrene Chain", J. Am. Chem. Soc., 2019, 141(24), 9500-9503.
Sheng-Chao Chai, Xiao Cao, Feng-Rui Xu, Liang Zhai, Hu-Jun Qian,Quan Chen, Li-Xin Wu, and Hao-Long Li*, "Multiscale Self-Assembly of Mobile-Ligand Molecular Nanoparticles for Hierarchical Nanocomposites", ACS Nano, 2019, 13(6):7135-7145.
2018:
Si-Min Kong , Yao-Hong Xue , Xiao-Li Liu , Xiao-Xi Jia， Hong Liu*，Feng-Chao Cui, "Polymerization-induced polymer aggregation or polymer aggregation-enhanced polymerization? a computer simulation study", Physical Chemistry Chemical Physics, 2018, 20(37), 24379-24388.
Da-li Wang, Chun-yang Yu, Li Xu, Lei-Lei Shi, Gang-Sheng Tong, Jieli Wu, Hong Liu, De-Yue Yan, and Xin-Yuan Zhu*, "Nucleoside Analogue-Based Supramolecular Nanodrugs Driven by Molecular Recognition for Synergistic Cancer Therapy", Journal of the American Chemical Society, 2018, 140 (28), 8797-8806.
Long Li , Cheng Han , Dan Xu , Ji-Yuan Xing , Yao-HongXue * and Hong Liu, "Polymer-grafted nanoparticles prepared via a grafting-from strategy: a computer simulation study", Physical Chemistry Chemical Physics, 2018, 20(27), 18400-18409.
Yi-Xin Chang, Hui-Min Gao, Ning-Ning Zhang, Xing-Fu Tao, Tian-meng Sun, Jun-hu Zhang, Zhong-Yuan Lu, Kun Liu*, Bai Yang, "Synergistic Reducing Effect for Synthesis of Well-Defined Au Nanooctopods with Ultra-Narrow Plasmon Band Width and High Photothermal Conversion Efficiency", Front. Chem., 2018, 6, 335.
Zhan-Wei Li, You-Liang Zhu*, Zhong-Yuan Lu, Zhao-Yan Sun*, "General patchy ellipsoidal particle model for the aggregation behaviors of shape- and/or surface-anisotropic building blocks", Soft Matter, 2018, 14, 7625-7633.
Hima Kolli, Antonio De Nicola, Sigbjørn Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhongyuan Lu, You-Liang Zhu, Giuseppe Milano*, Michele Cascella*, "Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment", J. Chem. Theor. Comput., 2018, 14 (9), 4928-4937.
Shu-Jia Li, Hu-Jun Qian*, Zhong-Yuan Lu, "Translational and rotational dynamics of an ultra-thin nanorod probe particle in linear polymer melts", Physical Chemistry Chemical Physics, 2018, 20, 20996-21007.
Jing Xu, Feng-Chao Cui, Yao-hong Xue, Hong Liu*, Zhong-Yuan Lu*, "Simultaneous polymer chain growth with the coexistence of bulk and surface initiators: a computer simulation study", Physical Chemistry Chemical Physics, 2018, 20(35), 22576-22584.
Hong Liu, Huan-Yu Zhao, Florian Mueller-Plathe, Hu-Jun Qian, Zhao-Yan Sun, Zhong-Yuan Lu*, "Distribution of the number of polymer chains grafted on a nanoparticle prepared by grafting-to and grafting-from procedures", Macromolecules, 2018, 51(10), 3758-3766.
Yang Yang, Han-wen Pei, Guang-Dong Chen, Kyle Webb, L. J. Martinez-Miranda, Zhong-Yuan Lu*, Kun Liu*, Zhihong Nie*, "Liquid crystal phase transitions of bent colloidal rods", Science Advances, 2018, 4, eaas8829.
Kai-Xin Ren, Xiang-Meng Jia, Gui-Sheng Jiao, Tao Chen, Hu-Jun Qian*, Zhong-Yuan Lu, "Interfacial Properties and Hopping Diffusion of Small Nanoparticle in Polymer/Nanoparticle Composite with Attractive Interaction on Side Group", Polymers, 2018, 10, 598.
Xiang-Ze Zeng, Zhan-Wei Li*, Xiao-Yan Zheng, Li-Zhe Zhu, Zhao-Yan Sun, Zhong-Yuan Lu, Xu-Hui Huang*, "Improving the Productivity of Monodisperse Polyhedral Cages by Rational Design of Kinetic Self-assembly Pathways", Physical Chemistry Chemical Physics, 2018, 20, 10030-10037.
Sheng-Chun Yang, Hu-Jun Qian*, Zhong-Yuan Lu, "A New Theoretical Derivation of NFFT and Its Implementation on GPU", Applied and Computational Harmonic Analysis, 2018, 44(2), 273-293.
You-Liang Zhu, Deng Pan, Zhan-Wei Li, Hong Liu, Hu-Jun Qian, Yang Zhao, Zhong-Yuan Lu*, Zhao-Yan Sun, "Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST", Molecular Physics, 2018, 116, 1065-1077.
Jun-Bing Fan, Hong Liu, Yong-yang Song, Zhen Luo, Zhong-Yuan Lu*, Shutao Wang*, "Janus Particles Synthesis by Emulsion Interfacial Polymerization: Polystyrene as Seed or Beyond?", Macromolecules, 2018, 51(5), 1591-1597.
Dan Xu, Yao-Hong Xue, You-Liang Zhu, Zhong-Yuan Lu, Hong Liu*, "Kinetic step-growth polymerization: A dissipative particle dynamics simulation study", The Journal of Chemical Physics, 2018, 148 (2), 024901.
Ji-Yuan Xing, Zhong-Yuan Lu, Hong Liu*; Yao-Hong Xue, "The selectivity of nanoparticles for polydispersed ligand chains during the grafting-to process: a computer simulation study", Physical Chemistry Chemical Physics ,2018, 20(3), 2066-2074.
Lu-Hua Zhang, Wen-Cui Li, Hong Liu, Quan-Gao Wang, Lei Tang, Qing-Tao Hu, Wen-Jing Xu, Wei-Hong Qiao, Zhong-Yuan Lu and An-Hui Lu*, "Thermoregulated Phase-Transition Synthesis of Two-Dimensional Carbon Nanoplates Rich in sp2 Carbon and Unimodal Ultramicropores for Kinetic Gas Separation", ACIE, 2018, 57(6), 1632-1635.
Hui-Min Gao, Hong Liu, Hu-Jun Qian, Gui-Sheng Jiao, Zhong-Yuan Lu*, "Multiscale Simulations of Ligand Adsorption and Exchange on Gold Nanoparticles", Physical Chemistry Chemical Physics ,2018, 20(3), 1381-1394.
Tao Chen, Hu-Jun Qian*, Zhong-Yuan Lu, "Diffusion dynamics of nanoparticles in all-polymer nanocomposites", Chem. Phys. Lett., 2017, 687(1),96-100.
Jun-Bing Fan, Yongyang Song, Hong Liu, Zhongyuan Lu, Feilong Zhang, Hongliang Liu, Jingxin Meng, Lin Gu, Shutao Wang*, Lei Jiang, "A General Strategy to Synthesize Chemically and Topologically Anisotropic Janus Particles", Science Advances, 2017 3:e1603203.
Bo Zhang, Rui Shi, Weilin Duan, Zhonglong Luo, Zhong-Yuan Lu, Shuxun Cui*, "Direct Comparison between Chemisorption and Physisorption: A Study of Poly(ethylene glycol) by Means of Single-molecule Force Spectroscopy and Monte Carlo Simulations", RSC Adv., 2017 7:33883-33889.
Bo Cheng, Lu Qian, Hu-jun Qian, Zhong-Yuan Lu, Shuxun Cui*, "Effects of Stereo-regularity on the Single-chain Mechanics of Polylactic Acid and Its Implications on the Physical Properties of the Bulk Materials", Nanoscale., 2017,9, 14312-14316.
Ying Wang, Hanwen Pei, Yan Jia, Jianhua Liu, Zelun Li, Kelong Ai*, Zhongyuan Lu, Lehui Lu*, "Synergistic Tailoring of Electrostatic and Hydrophobic Interactions for Rapid and Specific Recognition of Lysophosphatidic Acid, JACS, 2017, 139, 11616-11621.
Haina Tan, Chunyang Yu, Yongfeng Zhou*, Zhongyuan Lu, Deyue Yan, "A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents", Soft Matter, 2017, 13, 6178-6188.
Xiang-Meng Jia, Rui Shi, Gui-Sheng Jiao, Tao Chen, Hu-Jun Qian*, Zhong-Yuan Lu, “Temperature Effect on Interfacial Structure and Dynamics Properties in Polymer/Single-Chain Nanoparticle Composite”, Macromolecular Chemistry and Physics，2017, 218(16):1700029.
Rui Shi, Hu-Jun Qian* and Zhong-Yuan Lu, “Computer simulation study on the self-assembly of unimodal and bimodal polymer-grafted nanoparticles in a polymer melt”, Phys. Chem. Chem. Phys., 2017, 19(35):16524-16532.
Gui-Sheng Jiao, Hu-Jun Qian*, Zhong-Yuan Lu, “Temperature induced transition from acceleration to deceleration of the diffusion of polymers by soft nanoparticles in their composite”, Chem. Phys. Lett., 2017, 677, 152.
Hu-Jun Qian*, Ying Wang, Keiji Morokuma, “Quantum mechanical simulation reveals the role of cold helium atoms and the coexistence of bottom-up and top-down formation mechanisms of buckminsterfullerene from carbon vapor”, Carbon, 2017, 114, 635.
Han-Wen Pei, Xiao-Li Liu, Hong Liu*, You-Liang Zhu and Zhong-Yuan Lu. "Enhancement of surface nonwettability by grafting loops", Physical Chemistry Chemical Physics, 2017, 19(6):4710-4718.
Yao-Hong Xue, Wei Quan, Xiao-Li Liu, Cheng Han, Hua Li, Hong Liu*, "Dependence of Grafted Polymer Property on the Initiator Site Distribution in Surface-Initiated Polymerization: A Computer Simulation Study", Macromolecules ,2017, 50 (17), 6482-6488.
Di Xiang, Hong Liu, Lei Yang Jiaqi Zhu, Zhongyuan Lu, Ying Hou and Ming Yang*,"From Molecular-Level Organization to Nanoscale Positioning: Synergetic Ligand Effect on the Synthesis of Hybrid Nanostructures", Adv. Func. Mater.,2017, 27, 1703006.
Shan-Long Li, Ying-Li Zhang, Hong-Liu ,Chun-Yang Yu, Yong-Feng Zhou* ,De-Yue Yan, "Asymmetric Polymersomes from an Oil-in-Oil Emulsion: A Computer Simulation Study", Langmuir, 2017, 33 (38), 10084-10093.
Meng-Chi Sun, Bing-Yu Li, Yan-Chun Li, Yang-Dan Liu, Qi Liu, Hai-Lun Jiang, Zhong-Gui He, Yong-Shan Zhao*, Jin Sun*, “Experimental observations and dissipative particle dynamic simulations on microstructures of pH-sensitive polymer containing amorphous solid dispersions”, International Journal of Pharmaceutics, 2017, 517(1-2):185-195.
Yu Bao, Duo Xu, Lu Qian, Li Zhao, Zhong-Yuan Lu, Shuxun Cui*, “Revealing the Key Role of Water on the Biological Functions of Amylose and Natural Cellulose by Comparative Single-Molecule Studies”, Nanoscale, 2017, 9(10):3382-3385.
Jing-Chuan Song, Fei-Fei Xue, Xing-Xing Zhang, Zhong-Yuan Lu, Zhao-Yan Sun*, “Synthesis of yolk-shell mesoporous silica nanoparticles via a facile one-pot approach”, Chemical Communications, 2017, 53(26):3761-3764.
Jun Lu, Yi-Xin Chang, Ning-Ning Zhang, Ying Wei, Ai-Ju Li, Jia Tai, Yao Xue, Zhao-Yi Wang, Yang Yang, Li Zhao, Zhong-Yuan Lu, Kun Liu*, “Chiral Plasmonic Nanochains via the Self-Assembly of Gold Nanorods and Helical Glutathione Oligomers Facilitated by Cetyltrimethylammonium Bromide Micelles”, Acs Nano, 2017, 11(4):3463-3475.
2016:
Tao Chen, Hu-Jun Qian*, and Zhong-Yuan Lu, “Note: Chain length dependent nanoparticle diffusion in polymer melt: Effect of nanoparticle softness”, J. Chem. Phys. , 2016, 145, 106101.
Gui-Sheng Jiao, Yue Li, Hu-Jun Qian*, Zhong-Yuan Lu, “Computer simulation study of polydispersity effect on the phase behavior of short diblock copolymers”, Polymer ,2016, 96, 6.
Shu-Jia Li, Shi-Jie Xie, Yan-Chun Li,* Hu-Jun Qian, and Zhong-Yuan Lu, “Influence of molecular-weight polydispersity on the glass transition of polymers”, Phys. Rev. E, 2016, 93, 012613.
Sheng-Chun Yang, Yong-Lei Wang, Gui-Sheng Jiao, Hu-Jun Qian,* and Zhong-Yuan Lu, “Accelerating Electrostatic Interaction Calculations with Graphical Processing Units Based on New Developments of Ewald Method Using Non-Uniform Fast Fourier Transform”, J. Comp. Chem., 2016, 37, 378.
Yang Wang, Bao Li,* Hujun Qian, and Lixin Wu*, “Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson−Evans Polyoxometalates”, Inorg. Chem.,2016, 55, 4271.
Dan Xu, Hong Liu*, You-Liang Zhu, Zhong-Yuan Lu*, “Three-dimensional inverse design of nanopatterns with block copolymers and homopolymers”, Nanoscale, 2016, 8(9):5235-5244.
Qing-Zhi Zou, Zhan-Wei Li*, Zhong-Yuan Lu, Zhao-Yan Sun*, “Supracolloidal helices from soft Janus particles by tuning the particle softness”, Nanoscale, 2016, 8(7):4070-4076.
You-Liang Zhu, Zhong-Yuan Lu, Zhao-Yan Sun*, “The mechanism of the emergence of distinct overstretched DNA states”, Journal of Chemical Physics, 2016, 144(2):024901.
You-Liang Zhu, Zhong-Yuan Lu, Giuseppe Milano, An-Chang Shi, Zhao-Yan Sun*, “Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems”, Physical Chemistry Chemical Physics, 2016, 18(14):9799-9808.
Xiang-Ze Zeng, Bin Li, Qin Qiao, Li-Zhe Zhu, Zhong-Yuan Lu*, Xu-Hui Huang*, “Elucidating dominant pathways of the nano-particle self-assembly process”, Physical Chemistry Chemical Physics, 2016, 18(34):23494-23499.
Han-Wen Pei, Hong Liu*, You-Liang Zhu, Zhong-Yuan Lu, “Understanding the wettability of a hairy surface: effect of hair rigidity and topology”, Physical Chemistry Chemical Physics, 2016, 18(28):18767-18775.
Zhong-Long Luo, Bo Zhang, Hu-Jun Qian, Zhong-Yuan Lu, Shu-Xun Cui*, “Effect of the size of solvent molecules on the single-chain mechanics of poly(ethylene glycol): implications on a novel design of a molecular motor”, Nanoscale, 2016, 8(41): 17820-17827.
Xi Yang, Zhong-Yuan Lu*, “Control globular structure formation of a copolymer chain through inverse design”, Journal of Chemical Physics, 2016, 144(22):224902.
Hu-Jun Qian*, Gui-Sheng Jiao, Yan-Chun Li, Zhong-Yuan Lu, “A Mini Review of the Dissipative Particle Dynamics Study of the Polydispersity Effect on the Phase Behavior of Block Copolymers”, Acta Polymerica Sinica, 2016, (8):1011-1020.
Lin Ai, Yan-Chun Li, Zhen-Nan Wu, Jia-Le Liu, Yu Gao, Yi Liu, Zhong-Yuan Lu, Hao Zhang*, Bai Yang, “Photoinduced Conversion of Cu Nanoclusters Self-Assembly Architectures from Ribbons to Spheres”, Journal of Physical Chemistry C, 2016, 120(42):24427-24436.
Xiang Luo, Shi-Jie Xie, Wei Huang*, Bo-Na Dai, Zhong-Yuan Lu*, De-Yue Yan, “Effect of branching architecture on glass transition behavior of hyperbranched copolystyrenes: the experiment and simulation studies”, Chinese Journal of Polymer Science, 2016, 34(1):77-87.
Hong Liu*, You-Liang Zhu, Zhong-Yuan Lu, Florian Muller-Plathe, “Chain Growth Algorithm in Coarse-Grained Simulations”, Journal of Computational Chemistry, 2016, 37(30):2634-2646.
Zhan-Wei Li, You-Liang Zhu, Zhong-Yuan Lu, Zhao-Yan Sun*, “A versatile model for soft patchy particles with various patch arrangements”, Soft Matter, 2016, 12(3):741-749.
2015:
Tao Chen, Hu-Jun Qian,* You-Liang Zhu, and Zhong-Yuan Lu, “Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle”, Macromolecules, 2015, 48, 2751.
H. P. Xiang, H. J. Qian, Z. Y. Lu, M. Z. Rong* and M. Q. Zhang*, “Crack healing and reclaiming of vulcanized rubber by triggering the rearrangement of inherent sulfur crosslinked networks”, Green Chem. , 2015, 17, 4315.
Dan Li, Xiangmeng Jia, Xiao Cao, Tianyang Xu, Haolong Li,* Hu-Jun Qian,* and Lixin Wu*, “Controllable Nanostructure Formation through Enthalpy-Driven Assembly of Polyoxometalate Clusters and Block Copolymers”, Macromolecules, 2015, 48, 4104.
Shi-Jie Xie, Hu-Jun Qian, Zhong-Yuan Lu*, “Hard and soft confinement effects on the glass transition of polymers confined to nanopores”, Polymer, 2015, 56, 545.
Shi-Jie Xie, Hu-Jun Qian, Zhong-Yuan Lu*, “The glass transition of polymers with different side-chain stiffness confined in freestanding thin films”, J. Chem. Phys., 2015, 142, 074902.
Yan-Chun Li*, Yang Li, “Computer Simulation Study on the Molecular Design and the Self-Assembly Process of Au-Nanoparticle and Polymer Composite System”, Progress in Chemistry, 2015, 27(7): 848-852.
Zhen-Nan Wu, Jia-Le Liu, Yan-Chun Li, Zi-Yi Cheng, Ting-Ting Li, Hao Zhang*, Zhong-Yuan Lu, Bai Yang, “Self-Assembly of Nanoclusters into Mono-, Few-, and Multilayered Sheets via Dipole-Induced Asymmetric van der Waals Attraction”, ACS Nano, 2015, 9(6): 6315-6323.
Wei Wang, Yan-Chun Li, Zhong-Yuan Lu*, “Coil to Globule Transition of Homo- and Block-copolymer with Different Topological Constraint and Chain Stiffness”, Science China Chemistry, 2015, 58(9): 1471-1477.
Bao, Y, Qian, HJ, Lu, ZY, Cui, SX, “Revealing the Hydrophobicity of Natural Cellulose by Single-Molecule Experiments”, Macromolecules, 2015, 48:3685.
Haina Tan, Wei Wang, Chunyang Yu*, Yongfeng Zhou*, Zhongyuan Lu*, Deyue Yan, “Dissipative particle dynamics simulation study on self-assembly of amphiphilic hyperbranched multiarm copolymers with different degrees of branching”, Soft Matter, 2015, 11:8460-8470.
Jing-Chuan Song, Fei-Fei Xue, Zhong-Yuan Lu, Zhao-Yan Sun*, “Controllable synthesis of hollow mesoporous silica particles by a facile one-pot sol-gel method”, Chemical Communications, 2015, 51:10517-10520.