My name is Bo Li. I am currently a postgraduate student at NUS with a background in Materials Science.

My research interests lie at the intersection of artificial intelligence and computational chemistry, with a focus on data-driven strategies to accelerate materials discovery.

My prior work includes inverse materials design using transformer-based architectures and the development of a novel adapter module for classifier-free guidance. I have also explored the use of Large Language Models (LLMs) in multi-agent AI systems for text-guided molecule discovery.

Going forward, I aim to prioritize research on simulation-related tasks, as I find that understanding underlying physics is more interesting than simply discovering novel materials. Later, I hope to return to application-level studies such as automated laboratory systems if I feel the baseline tools are ready.

🎓 Education