fig2

Cloud synthesis: a global close-loop feedback powered by autonomous AI-driven catalyst design agent

Figure 2. Workflow of the cloud synthesis and global feedback system: (A) The interface of the front-end DigCat website; (B) Key tools within DigCat, including the experimental and theoretical structure databases, RGA-enhanced LLM, surface Pourbaix diagram and aqueous stability, machine learning regression model, catalytic microkinetic model, and the active machine learning training framework; (C) CPU and GPU infrastructure supporting DigCat; (D) Automated synthesis platforms worldwide, with images from Tohoku University in Japan and Beijing University of Chemical Technology in China. LLM: Large language model; DigCat: digital catalysis platform; CPU: central processing unit; GPU: graphics processing unit.