The AI4Capture project aims to use artificial intelligence (AI) to speed up this search. It builds on a digital platform that combines computer simulations with economic and environmental analysis. This platform will enable researchers to test how different materials perform across various carbon capture case studies, such as CO₂ capture from power plants, steel, and cement production.

The aim for AI4Capture is to also add new tools to make this process faster and smarter:

• Digital Twins – computer models that quickly predict how materials will perform in real-world carbon capture systems.
• AI-driven material discovery – algorithms that find or even design new MOFs that could work best for certain applications.
• Synthesis recommenders – AI tools that suggest how to actually make these materials in the lab in a sustainable way.