Accelerating next-gen carbon capture through Al-guided materials discovery
This research project focuses on the design, synthesis, and validation of novel metal-organic framework (MOF) materials optimized for the selective capture of carbon dioxide.
By leveraging MDRI’s AI-native discovery platform, the team identifies high-surface-area, high-affinity MOF candidates capable of capturing CO₂ from industrial and atmospheric sources with superior efficiency and durability.
Project Goals
MOF Optimization
This research project focuses on the design, synthesis, and validation of novel metal-organic framework (MOF) materials optimized for the selective capture of carbon dioxide.
By leveraging MDRI’s AI-native discovery platform, the team identifies high-surface-area, high-affinity MOF candidates capable of capturing CO₂ from industrial and atmospheric sources with superior efficiency and durability.
Applications
- Industrial Carbon Capture: Integration into flue gas treatment systems at power plants, cement factories, and steel mills
- Direct Air Capture (DAC): Use in scalable DAC units for atmospheric CO₂ removal
- Indoor Air Quality Systems: Incorporation into HVAC systems for high-efficiency CO₂ filtering in enclosed environments
Project Status
- TRL 6–7: Scale-up and system integration testing in partnership with industrial collaborators
Resources & Data
- Publication: AI-Guided Design of High-Affinity MOFs for Selective Carbon Capture (2025)
- Dataset: MOF structure library and CO₂ binding performance results | Request Access
- Instrumentation: BET analyzers, FTIR, XRD, pressure swing test rig
Why it Matters
This project exemplifies how MDRI’s AI-native lab infrastructure accelerates not only material discovery but also real-world deployment. By developing next-generation materials for CO₂ capture, we are contributing tangible solutions to one of the most urgent climate challenges.

