Direct air capture (DAC) of carbon dioxide is a critical technology for climate change mitigation, yet current materials lack efficiency and scalability. Here, the authors employ machine learning and high-throughput atomistic modeling to identify binding sites for the targeted design of functionalized amine sorbents, advancing the design of scalable, cost-effective DAC technologies.
- Megan C. Davis
- Wilton J. M. Kort-Kamp
- Edward F. Holby
