I am honored to attend and give a talk at the 74th Lindau Nobel Laureate Meeting as a selected young scientist in July 2025.
I am currently a Ph.D. candidate at the College of Chemistry and Molecular Engineering, Peking University, where I also received my B.S. in Chemistry (2018–2022). I am fortunate to be advised by Prof. Luhua Lai and Prof. Zhirong Liu.
My research philosophy is rooted in a single, driving ambition: to accelerate scientific discovery by bridging the gap between fundamental chemistry and artificial intelligence. I am passionate about liberating researchers from the tedious trial-and-error loops of traditional experiments through data-driven approaches and automation.
My primary research interests lie in chemical reaction prediction, including:
- Retrosynthesis Planning: Navigating the vast chemical space to find optimal synthetic routes.
- Reaction Mechanism Analysis: Deciphering the underlying logic of chemical transformations.
- Reaction Procedure Recommendation: Predicting experimental actions to maximize yield and efficiency.
Beyond my academic studies at Peking University, my journey has been shaped by continuous engagement with world-class research labs. I have spent extensive time as a research intern within the Microsoft Research (MSR) ecosystem, collaborating with leading experts to push the boundaries of AI for Science. This includes my time at MSRA (May 2022 – Nov 2023) and MSR AI4S Beijing (Mar 2025 – Sep 2025). I am currently an intern at MSR AI4S Cambridge (since Jan 2026), continuing to explore the intersection of LLMs and chemistry.
To ensure my computational work remains grounded in physical reality, I also served as a visiting research student at the Center for Algorithmic and Roboticized Synthesis, IBS (Oct 2024 – Dec 2024). Advised by Prof. Bartosz Grzybowski, I gained valuable insights into chemical automation and catalyst development, effectively balancing my AI expertise with deep chemical domain knowledge.
I am always open to discussions on AI, Chemistry, and the future of automated science, you can also find my publications on Google Scholar. Feel free to reach out me at catalystforyou@outlook.com!