基于DFT+DMFT强关联材料计算方法发展以及磁性分析研究，对强关联材料有关磁性、超导、相变以及电子结构进行相关研究。在Phys. Rev. Lett.， npj Quantum Mater. 等期刊发表论文18篇。
代表性论著：
1. Yuanji Xu*, Yutao Sheng and Yi-feng Yang#. Mechanism of the insulator-to-metal transition and superconductivity in the spin liquid candidate NaYbSe2 under pressure. npj Quantum Mater. 7, 21 (2022).
2. Yuanji Xu*, Yutao Sheng and Yi-feng Yang#. Quasi-two-dimensional Fermi surfaces and unitary spin-triplet pairing in the heavy fermion superconductor UTe2. Phys. Rev. Lett. 123, 217002 (2019).
3. Yuanji Xu*, M. Liu, P. Zheng, X. Chen, J. Cheng, J. Luo, W. Xie and Yi-feng Yang#. First-principles calculations of the magnetic and electronic structures of MnP under pressure.
J. Phys.:Condens. Matter 29, 244001.(2017).
4. Le Wang*, Yuanji Xu*(共同一作，理论一作), Meng Yang, Qianqian Wang, Cuixiang Wang, Shanshan Miao, Youting Song, Youguo Shi# and Yi-feng Yang#. Anisotropic hybridization in the new Kondo lattice compound CeCoInGa3. Phys. Rev.B 98, 115119 (2018).
5. P. Zheng#, Yuanji Xu*(共同一作，理论一作), W. Wu, G. Xu, J. Lv, F. K. Lin, P. Wang,Yi-feng Yang# and J. Luo. Orbital-dependent charge dynamics in MnP revealed by optical study.
Sci. Rep. 7, 14178 (2017).
6. Min Liu*, Yuanji Xu*(共同一作), Danqing Hu, Zhaoming Fu#, Ninghua Tong, Xiangrong Chen, Jianguang Cheng, Wenhui Xie# and Yi-feng Yang#. Symmetry-enforced heavy fermion physics in the quadruple-perovskite CaCu3Ir4O12.airXiv:1705.00846 (2017).
7. Yue-Chao Wang, YuanJi Xu, Yu Liu#, Xing-Jie Han, Xie-Gang Zhu, Yi-feng Yang, Yan Bi, Hai-Feng Liu, and Hai-Feng Song#.First-principles study of the role of surface in the heavy-fermion compound CeRh2Si2.Phys. Rev.B 103, 165140 (2021).
8. Haijiang Liu, Yingying Cao, Yuanji Xu, D. J. Gawryluk, E. Pomjakushina, S.-Y. Gao, Pavel Dudin, M. Shi, Yi-feng Yang# and H. Ding#. Observation of flat bands due to band hybridization in 3d-electron heavy-fermion compound CaCu3Ru4O12.Phys. Rev.B 102, 035111 (2020).
9. Yu Li, Qianqian Wang, Yuanji Xu, Wenhui Xie and Yi-feng Yang#. Nearly degenerate
