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Faculty
Zexing Qu
Title
Professor
Division
Physical Chemistry
Specialties
Theoretical and computational chemistry
Website
Contact Information
Email    zxqu@jlu.edu.cn
Office     305 Science and Technology Building, No. 2 Liutiao Road               
Lab        516 Science and Technology Building, No. 2 Liutiao Road
Short Biography
Dr. Zexing Qu received his Ph. D in physical chemistry from Nanjing University under the supervision of Professor Yuansheng Jiang in 2012. After two years as a postdoc researcher in Nanjing University, he joined the Institute of Theoretical Chemistry, Jilin University, as a lecturer. From 2024 till now, Dr. Zexing Qu has been a full professor in Jilin University. Now he is in the faculty of the State Key Laboratory of Supramolecular Structure and Materials in Jilin University.
Research Interest
The research of Dr. Zexing Qu focuses mainly on the theoretical and computational chemistry, includes the following: (1) Electronic structure theory. (2) Nonadiabatic theory of excited states. (3) Photochemistry. (4) Combustion chemistry. (5) Energetic materials.
Honors & Awards
2019 Au-chin Tang Young Talent Award Fund of Jilin University
Publications

1. Hongcai Liu, Shuai Guan, Zhuofan Wang, Zhongjun Zhou*, Zexing Qu*, Wenjian Liu*, Machine Learned Fock Matrix, JACS Au, 2025, 10.1021/jacsau.5c01200.
2. Xinyu Huang, Zhongjun Zhou*, Huajie Song*, Zexing Qu* Machine Learning-Based Excited-State Reactive Force Field: A New Approach for Modeling the Photodissociation Dynamics of 2 Fluorothiophenol, J. Chem. Theory. Comput., 2025, 21, 10098.
3. Chunyuan Kang, Songyuan Tao, Fan Yang, Chengyu Zheng, Zexing Qu*, Bai Yang*, Enabling Carbonized Polymer Dots with Color‐tunable Time‐dependent Room Temperature Phosphorescence through Confining Carboxyl Dimer Association， Angew. Chem. Int. Ed., 2024, 136 (1): e202316527.
4. Lingyu Zhang; Huajie Song*; Yanqiang Yang*; Zhongjun Zhou; Jilong Zhang; Zexing Qu*; Ultrafast vibrational energy redistribution in cyclotrimethylene trinitramine (RDX)， J. Chem. Phys., 2024, 160(6); 064105.
5. Zexing Qu*, Yujie Guo, Jilong Zhang*, Zhongjun Zhou*, Mesomerism Induced Temperature-Dependent Multicomponent Phosphorescence Emissions in ClBDBT, Chem. Sci., 2023, 14 (37): 10096–10102.

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State Key Laboratory of Supramolecular Structure and Materials, Jilin University