Published papers in journals such as Angewandte Chemie International Edition; dedicated to promoting the application of FAIR principles (Findable, Accessible, Interoperable, Reusable) in materials science data.
Research Experience
Involved in several research groups, including but not limited to: using ab initio and AI methods for heterogeneous catalysis; AI-assisted discovery of thermoelectric materials; developing advanced electronic-structure methods; exploring defects and metastabilities combining ab initio approaches and AI.
Background
Focused on condensed-matter theory, materials science, and artificial intelligence; with a particular emphasis on the development of density-functional theory and many-electron quantum mechanics. In recent years, there has been an increasing focus on data-centric scientific concepts and methods.
Miscellany
Members also participate in organizing international conferences and other events; have extensive global collaboration networks; provide support services for new researchers joining the team.