AI-driven materials & chemical discovery

We build and deploy high-throughput digital workflows (e.g., CoRE MOF Tools, AIM) to curate, screen and evaluate thousands of nanoporous materials, creating digital twins for accurate and rapid performance prediction.

We build foundational platforms like CoRE MOF DB, PACMAN, MOFClassifier and GWP-estimator to enable autonomous discovery of next-generation materials and chemical systems.

We investigate the fundamentals of adsorption (e.g., BET analysis), diffusion, and reaction mechanisms to design and understand materials and chemicals for carbon capture, conversion and energy storage.