Engaged in theoretical and intelligent chemistry research, developing quantum chemistry methods that integrate artificial intelligence and big data technologies, focusing on simulating electron motion in complex systems to address practical problems in various physics and chemistry application fields. Received the 2015 Chinese Chemical Society Tang Aoqing Young Theoretical Chemist Award and the 2020 Chemical Society of Japan Distinguished Lectureship Award. Holds over 20 patents in quantum devices and intelligent chemistry. Led the development of 5 intelligent chemistry software packages applied in domestic and international research institutions and industries.

1. Q. Zhu, F. Zhang, Y. Huang, H.Y. Xiao, L.Y. Zhao, X.C. Zhang, T. Song, X.S. Tang, X. Li, G. He, B.C. Chong, J.Y. Zhou, Y.H. Zhang, B.C. Zhang, J.Q. Cao, M. Luo, S. Wang, G.L. Ye, W.J. Zhang, X. Chen, S. Cong, D.L. Zhou, H.R. Li, J.L. Li, G. Zou, W.W. Shang*, J. Jiang*, Y. Luo*, An all-round AI-Chemist with scientific mind, Natl. Sci. Rev. (2022) DOI: 10.1093/nsr/nwac190.

2. Zhong, Wenhui; Qiu, Yue; Shen, Hujun; Wang, Xijun; Yuan, Jianyong; Jia, Chuanyi; Bi, Siwei; Jiang, Jun*; Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N, J. Am. Chem. Soc. 2021, 143: 4405-4413.

3. Ye, Sheng; Zhang, Guozhen; Jiang, Jun*; AI-based spectroscopic monitoring of real-time interactions between SARS-CoV-2 and human ACE2, Proc Natl Acad Sci USA. 2021, 118: e2025879118.

4. Ye, Sheng#; Zhong, Kai#; Zhang, Jinxiao#; Hu, Wei; Hirst, Jonathan; Zhang, Guozhen; Mukamel, Shaul; Jiang, Jun*; A Machine Learning Protocol for Predicting Protein Infrared Spectra, J. Am. Chem. Soc. 2020, 142: 19071-19077.

5. Wang, Xijun#; Ye, Sheng#; Hu, Wei#; Sharman, Edward; Liu, Ran; Liu, Yan; Luo, Yi; Jiang, Jun*; Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions, J. Am. Chem. Soc. 2020, 142: 7737-7743.