Ph.D., Technical University of Munich., Germany (2022)

Post-Doctor, Fritz-Haber-Institut der Max-Planck-Gesellschaft., Germany (2022-2023)

Post-Doctor, Lawrence Berkeley National Laboratory.,USA (2023-2025)

Professor, Xiamen Univ. (2025- )

Computational Chemistry, Artificial Intelligence, AI for Science, Computational Catalysis，Energy Chemistry, Energy Storage and Conversion

1.  Predicting Binding Motifs of Complex Adsorbates Using Machine Learning with a Physics-inspired Graph Representation. Nat. Comput. Sci., 2, 443 (2022)

2. Spin-informed universal graph neural networks for simulating magnetic ordering. Proc. Natl. Acad. Sci., 122,  e2422973122 (2025)

3. Discovering high entropy alloy electrocatalysts in vast composition spaces with multi‐objective optimization. J. Am. Chem. Soc., 146, 7698 (2024)

4. Data‐Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity. ACS Catal., 11, 734 (2021)

5. Negatively charged nanoporous membrane for a dendrite-free alkaline zinc-based flow battery with long cycle life. Nat. Commun., 9, 3731 (2018)