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.