fig1

A closed-loop universal catalyst design workflow ready for AI agents

Figure 1. Overview of the universal catalyst design workflow integrating DigCat-based data extraction, wACSF descriptor construction, machine learning, microkinetic benchmarking, and catalyst screening. This figure is quoted with permission from Wei, Li, Yang et al.[1]. DigCat: Digital Catalysis Platform; wACSF: weighted atom-centered symmetry function.