Prof. Zhong-Yuan Lu

State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry
Jilin University

Liu Tiao Road 2#
Changchun, 130021, China
E: [email protected]

Research and Education Experience:

  • 2010–now: Tang Au-Chin Distinguished Professor in Institute of Theoretical Chemistry, Jilin University
  • 2005–2010: Professor in Institute of Theoretical Chemistry, Jilin University
  • 2003–2005: Associate Professor in Institute of Theoretical Chemistry, Jilin University
  • 1999–2003: Postdoc in Department of Physics, Bergische Universität Wuppertal
  • 1994–1999: Ph.D. Physical Chemistry in Institute of Theoretical Chemistry, Jilin University
  • 1990-1994: B.Sc. Polymer Materials in Department of Chemistry, Jilin University

Researcher ID

Scientific Awards and Recognition:

  • Supported by the Ten Thousand Talents Plan, Chinese Government(万人计划), 2016
  • Senior Expert of Jilin Province, Jilin Province, 2011
  • Tang Au-Chin Distinguished Professor of Jilin University, Jilin University, 2010
  • Supported by National Science Fund for Distinguished Young Scholars of China(“杰青”), National Science Foundation of China, 2010
  • Supported by Program for New Century Excellent Talents in University, Ministry of Education of China, 2008
  • Chinese Chemical Society Award for Outstanding Young Chemists, Chinese Chemical Society, 2008

Coordination of Research Projects:

Received principal research funding from National Natural Science Foundation of China, Ministry of Education of China, Ministry of Science and Technology of China, Fok Ying Tung Education Foundation, and Jilin Province, with ca. 400,000 Yuan per year since 2005.

Research Interests:

Currently my research is focused on tuning self-assembly structure of polymer-grafted nanoparticles:Polymer-grafted nanoparticles (PGNs) are extremely important building-blocks in self-assembly, since they incorporate unique properties of inorganic nanoparticles with excellent mechanical properties of organic polymers in one system. But the full understanding of the self-assembly mechanism and the fine-tuning of structure and property of PGNs is far from satisfactory. We are trying to combine theoretical/computational and experimental tools and develop new techniques to achieve:

  1. Develop new characterization methods to clarify microscopic structure and property of polymer chains grafted on the nanoparticle surface;
  2. Develop efficient theoretical/computational and experimental tools that can manifest the physical nature of effective interaction between polymer-grafted nanoparticles;
  3. Clarify the thermodynamic and dynamic influences in the self-assembly process of polymer-grafted nanoparticles.

Selected publications (20 out of 180):

  1. Xiangze Zeng, Bin Li, Qin Qiao, Lizhe Zhu, Zhong-yuan Lu*, and Xuhui Huang*, Dominant Pathways of the Nano-particle Self-Assembly Process Elucidated by Kinetic Network Models, Phys. Chem. Chem. Phys., 2016, 18, 23494 - 23499.(together with Prof. Xuhui [email protected])
  2. Xi Yang, Zhong-Yuan Lu*, Control globular structure formation of a regular copolymer chain through inverse design, J. Chem. Phys., 2016, 144, 224902.
  3. Dan Xu, Hong Liu*, You-Liang Zhu, Zhong-Yuan Lu*, Three dimensional inverse design of nanopatterns with block copolymers and homopolymers, Nanoscale, 2016, 8, 5235-5244. (together with Dr. Hong Liu)
  4. Wei Wang, Peng Zhao, Zhong-Yuan Lu*, Coil to globule transition of homo- and block-copolymer with different topological constrains and stiffness, Science China Chemistry, 2015, 58 (9): 1471-1477.
  5. Shi-Jie Xie, Hu-Jun Qian, Zhong-Yuan Lu*, The Glass Transition of Polymers with Different Side-chain Stiffness Confined in Thin Films, J. Chem. Phys., 2015, 142, 074902.
  6. Wei Wang, Peng Zhao, Xi Yang, Zhong-Yuan Lu*, Coil-to-globule transitions of homopolymers and multiblock copolymers, J. Chem. Phys., 2014, 141, 244907.
  7. Yijing Liu, Yan-Chun Li, Jie He, Kaleb Duelge, Zhongyuan Lu*, Zhihong Nie*, Entropy-driven Pattern Formation of Hybrid Vesicular Assemblies Made from Molecular and Nanoparticle Amphiphiles, JACS, 2014, 136 (6), 2602–2610.(together with Prof. Zhihong [email protected] U.)
  8. Jie He, Xinglu Huang, Yan-Chun Li, Yijing Liu, Tarrika Babu, Maria A. Aronova, Shouju Wang, Zhongyuan Lu,* Xiaoyuan Chen,* Zhihong Nie*, Self-assembly of amphiphilic plasmonic micelle-like nanoparticles in selective solvents, J. Am. Chem. Soc., 2013, 135 (21), 7974-7984.(together with Prof. Zhihong [email protected] U. and Prof. Xiaoyuan [email protected])
  9. You-Liang Zhu, Hong Liu, Zhan-Wei Li, Hu-Jun Qian, Giuseppe Milano, Zhong-Yuan Lu*, GALAMOST: GPU-accelerated large-scale molecular simulation toolkit, J. Comput. Chem., 2013, 34, 2197-2211.
  10. Yong Liu, Chunyang Yu, Haibao Jin, Binbin Jiang, Xinyuan Zhu, Yongfeng Zhou*, Zhongyuan Lu*, and Deyue Yan, A Supramolecular Janus Hyperbranched Polymer and Its Light- Reversible Self-Assembly of Narrowly-Distributed Vesicles, J. Am. Chem. Soc., 2013, 135(12), 4765-4770.(together with Prof. Yongfeng [email protected])
  11. Peng Zhao, Li-Jiang Yang, Yi-Qin Gao*, Zhong-Yuan Lu*, Facile Implementation of Integrated Tempering Sampling Method to Enhance the Sampling over a Broad Range of Temperatures, Chem. Phys., 2013, 415, 98-105.(together with Prof. Yi Qin [email protected])
  12. Yong-Lei Wang, Alexander Lyubartsev*, Zhong-Yuan Lu*, Aatto Laaksonen*, Effect of the electrostatic interactions on the multiscale coarse-graining simulations of ionic liquids, Phys. Chem. Chem. Phys., 2013, 15, 7701-7712.(together Profs. Lyubartsev and [email protected] U.)
  13. Jing Zhang, Zhong-Yuan Lu*, Zhao-Yan Sun*, Self-assembly structures of amphiphilic multiblock copolymer in dilute solution, Soft Matter, 2013, 9, 1947-1954.(together with Prof. Zhaoyan [email protected])
  14. Shi-Jie Xie, Hu-Jun Qian, Zhong-Yuan Lu*, The influence of internal rotational barriers and temperature on static and dynamic properties of bulk atactic polystyrene, J. Chem. Phys., 2012, 137(24), 244903.
  15. Hong Liu, You-Liang Zhu, Jing Zhang, Zhong-Yuan Lu*, Zhao-Yan Sun*, Influence of Concave Surface Curvature on Chain Polydispersity in Surface-initiated Polymerization, ACS Macro letters, 2012, 1, 1249-1253.(together with Prof. [email protected])
  16. 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.(together with Prof. Min [email protected] U.)
  17. Li Zhao, Xiang-Gui Xue, Zhong-Yuan Lu*, Ze-Sheng Li, The influence of tether number and location on the self-assembly of tethered nanorods, J. Mol. Mod., 2011, 17, 3005-2013.
  18. Zhan-Wei Li, Zhao-Yan Sun, Zhong-Yuan Lu*, A Simulation Model for the Hierarchical Self-Assembly of Soft Disklike Micelles, J. Phys. Chem. B, 2010, 114, 2353-2358.
  19. Ying-Tao Liu, Ying Zhao, Hong Liu, Yu-Hua Liu, Zhong-Yuan Lu*, Spontaneous fusion between the vesicles formed by A2n (B2) n type comb-like block copolymers with semi-flexible hydrophobic backbone, J. Phys. Chem. B, 2009, 113, 15256-15262.
  20. Hong Liu, Min Li, Zhong-Yuan Lu*, Zuo-Guang Zhang, Chia-Chung Sun, Influence of Surface-Initiated Polymerization Rate and Initiator Density on the Properties of Polymer Brushes, Macromolecules, 2009, 42(7), 2863-2872.