About me

Research

I’m a researcher at Microsoft research AI4Sci Lab. My work is focusing on AI for science, including quantum chemistry, biology, and quantum computing algorithms. I am interested in the interdisciplinary research between chemistry, physics, biology, and computer sciences, and passionate about bridging the mind gaps between different areas.

I earned a PhD degree of theoretical chemistry in California Institute of Technology working with Prof. Thomas F. Miller III in Mar, 2022. I received a Bachelor of Science degree with quadruple majors in Chemistry, Math, Biochemistry, and Molecular Biology and a minor in Computer Science from University of Wisconsin-Madison in 2016. My PhD research focused on AI for chemistry, including molecular modelling by Molecular Orbital-Based Machine Learning (MOB-ML) method for electronic structure, and nucleic acid secondary structure modelling with machine learning and molecular dynamics tools (INSPIRE).

AI4Sci Education

I’m also a part-time educator, scientific mentor, and application advisor for high-school and undergraduate students. For more details, please see the AI4SciEdu organization, Teaching, and Outreaching.

My Family

Please also check out the page of my husband and collaborator (MOB-ML), Jiace Sun.

Our WeChat Official Account (Chinese)