My research focuses on computational mineralogy and computational geochemistry. Recently, I have been particularly interested in exploring the structure and properties of materials that make up the interiors of the Earth and other terrestrial planets. By performing multi-scale simulation studies based on first-principles calculations and integrating thermodynamic and kinetic methods with high-pressure experiments, I aim to better understand the internal dynamics of terrestrial planets and how these processes relate to surface phenomena.

I welcome students and colleagues who share these interests to reach out for academic discussions. Undergraduate students, graduate students, and postdoctoral researchers who are interested in joining our research group are also warmly invited to contact me at any time (liyunguo@ustc.edu.cn).