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 to enable text-guided molecule discovery.

In the future, I aim to establish an automated materials discovery pipeline encompassing data mining, generative models for novel materials, property emulators that integrate machine learning with quantum mechanical methods, and domain-specific LLMs to execute and optimize experiments within a closed-loop discovery framework.

🎓 Education

Research perspective

Bellow is my desired workflow for my future academic journey !