Chenghao Liu

Chenghao Liu is a postdoctoral Research Fellow at the California Institute of Technology (Caltech), where he is supervised by Prof. Frances Arnold starting in 2025. He previously completed his Ph.D. at McGill University (2019-2024) under Prof. Dmytro Perepichka and collaborated with Prof. Yoshua Bengio at Mila. He co-founded the protein design startup Dreamfold (2021-2025) and was a Vanier Canada Graduate Scholar (2021-2024). His research bridges chemistry and computer science, focusing on AI-driven molecular and materials design.

His recent publications highlight work on generative AI for 3D molecule synthesis (SynCoGen), GFlowNets for synthesizable molecular generation (RGFN), and covalent organic frameworks with tailored electronic properties. He has contributed to machine learning applications in chemistry, including protein backbone generation and CO₂ photoreduction catalysts. His work spans molecular design, AI algorithms, and materials discovery.

Scientific Awards

• Vanier Canada Graduate Scholar (2021-2024)