Our lab focus on the development and application of cutting-edge computational and data-driven tools to better understand, design and discover advanced materials. Our research interests include:
- Combining computational materials science, solid state physics, thermodynamics and chemistry to understand fundamental and critical materials problems in high-impact applications.
- Applying high-throughput materials simulations, data-mining and experiment to speed up new materials development.
- Developing new algorithm or tools for materials simulations.
Our research fields involve energy materials (all-solid-state lithium ion batteries, layered thermoelectric materials and perovskite solar cells) and structural materials (Mg alloy).