Biography

• Tenured Associate Professor, College of Chemistry and Molecular Engineering, Peking University (2015-now)

• Tenure-Track Assistant Professor, College of Chemistry and Molecular Engineering, Peking University (2009-2014)

• Postdoctoral Research Fellow, Fritz-Haber Institute of Max Planck Society, Berlin, 2006-2009.

• Postdoctoral Research Fellow, University of Frankfurt, 2004-2006.

• Visiting Student/Postdoctoral Research Fellow, Duke University, 2001-2004.

• Ph.D. in Physical Chemistry, Peking University (2003)

• B.S. in Physical Chemistry, Peking University (1998)

Research Interests

Development of first-principles approaches to electronic excitations and strong correlation in materials and their applications to inorganic luminescent materials, heterogeneous catalysis, and molecular magnetic systems.

Teaching

• Comprehensive Physical Chemistry (undergraduate)

• Quantum Chemistry (graduate/undergraduate)

• Theory and Computation in Materials Research (graduate)

Selected Publications

1. Yuhang Ai, Ze-Wei Li and Hong Jiang*, Exploring Novel Quantum Embedding Methods with a Non-orthogonal Decomposition of Slater Determinants, Phys. Rev. Lett. 135, 026502 (2025).

2. Yuhang Ai, Ze-Wei Li, Zhe-Bin Guan, Hong Jiang*, Density Matrix Embedding Theory-Based Multi-Configurational Quantum Chemistry Approach to Lanthanide Single-Ion Magnets, J. Chem. Theo. Comput. 21, 9631-9640 (2025). 

3. Zhao-Qing Liu, Zhe Deng, Huabo Zhao, Han Wang, Mohan Chen, Hong Jiang*, FT²DP: large atomic model fine-tuned machine learn-ing potential for accelerating atomistic simulation of iron-based Fischer-Tropsch synthesis, J. Mater. Info. 5, 27 (2025).

4.  Nanlong Zheng, Songqi Cao, Tianhao Zhang, Peihao Huo, Conglan Hu, Huanyu Liu, Ruoyao Guo, Wenchao Yan, Jiayin Zheng, Xiaofan Jiang, Zhenyu Zhu, Junliang Sun, Hong Jiang*, Zuqiang Bian*, Yongping Fu* and Zhiwei Liu*, Synthesis of zero-dimensional octahedral metal halides through solvent incorporation and their photophysical properties, Nature Chem. 17, 1401-1409 (2025).

5. Jun-Zhong Xie, Xu-Yuan Zhou, Bin Jin, and Hong Jiang*, Machine Learning Force Field-Aided Cluster Expansion Approach to Phase Diagram of Alloyed Materials, J. Theo. Chem. Comput. 20, 6207-6217 (2024).

6. Yuhang Ai, Qiming Sun, and Hong Jiang*, Efficient Multiconfigurational Quantum Chemistry Approach to Single-Ion Magnets Based on Density Matrix Embedding Theory, J. Phys. Chem. Lett. 13, 10627-10634 (2022).

7. Yue-Chao Wang and Hong Jiang*, Local screened Coulomb correction approach to strongly correlated d -electron systems, J. Chem. Phys.150,154116 (2019).

8. Xi Xu and Hong Jiang*, Cluster expansion based configurational averaging approach to bandgaps of semiconductor alloys , J. Chem. Phys. 150, 034102 (2019).

9. Hong Jiang,Revisiting the GW Approach to d- and f-electron Oxides, Phys. Rev. B, 97, 245132(2018).

10. Zhi-Hao Cui, Yue-Chao Wang, Min-Ye Zhang, Xi Xu, Hong Jiang*,Doubly Screened Hybrid Functional: An Accurate First-Principles Approach for Both Narrow- and Wide-Gap Semiconductors, J. Phys. Chem. Lett. 9, 2338-2345(2018).