代表性论文：

1. "Electron-nuclear hyperfine coupling in quantum kagome antiferromagnets from first-principles calculation and a reflection of the defect effect", Shunhong Zhang, Yi Zhou, Feng Liu and Zheng Liu, Science Bulletin 64, 1584 (2019). 

2. "Renormalization of the Mott gap by lattice entropy: The case of 1T- TaS2", Li Cheng , Shunhong Zhang, Shuang Qiao, Xiaofeng Wang, Lizhao Liu and Zheng Liu, Physical Review Research, 2, 023064 (2020). 

3. "In-plane ordering of oxygen vacancies in a high-Tc cuprate superconductor with compressed Cu-O octahedrons: An automated cluster expansion study", Yunhao Li, Shiqiao Du, Zheng-Yu Weng and Zheng Liu, Physical Review Materials 4, 044801 (2020). 

4. "A first-principle perspective on electronic nematicity in FeSe", Xuanyu Long, Shunhong Zhang, Fa Wang and Zheng Liu, NPJ Quantum Materials 5, 50 (2020).

5. "Understanding the flat band in 1T-TaS2 using a rotated basis", Li Cheng, Xuanyu Long, Xiaobin Chen, Xiaolong Zou, and Zheng Liu, Physical Review B 104, L241114 (2021). (Editors' Suggestion)