Hi!👋
My name is Bo Li, a graduate student in materials science, hoping to utilize machine learning to accelerate materials discovery. My interest lies in:
- Generative Models for structure prediction, e.g. CSP, Molecule Design.
- AI for Simulation, surrogate models for MD traj.
- LLM for Reaction plan and Retrosynthesis reasoning
- Agentic AI, auto-research Graph Agent for Self-Driving-Lab.
Feel free to connect with me on my LinkedIn profile or reach out via my email. I’m always happy to chat with anyone interested in AI for Science (AI4S).


