We are a research group on theoretical and computational condensed-matter and materials physics. Our main research interest is to understand/predict unusual quantum phenomena and novel material properties, based on first-principles electronic structure calculations. In particular, we focus on exploring the electronic, thermal, optical and magnetic properties of low-dimensional systems (e.g. layered materials, materials surfaces and interfaces) as well as materials with non-trivial topological order. The primary goal of our research is to design advanced functional materials that can be used for low-dissipation electronics, high-performance thermoelectricity and high-efficiency solar cell. We are also interested in developing theoretical methods for studying quantum thermal, electronic, and thermoelectric transport at the mesoscopic scale.

Our current researches are mainly focus on:

• Topological electronic structures.
• Magnetic materials.
• Nonlinear optical response.
• DFT calculations combined with machine learning.
• Functional material design.