Kemira, CuspAI use generative AI to design novel PFAS-removing materials in six months

Finland-based water treatment chemicals specialist, Kemira, and UK-based AI materials science company CuspAI have used generative AI to design novel materials targeting the removal of PFAS — so-called “forever chemicals” — from drinking and process water at trace concentrations.

The discovery phase, which typically takes years, was completed in six months. CuspAI’s platform searched approximately 300 trillion possible material structures to deliver over 5,000 novel metal-organic framework (MOF) designs evaluated against three priority PFAS molecules — GenX, PFBS, and PFOS. This was narrowed to around 20 priority candidates now advancing to further development and testing.

The collaboration is described as the first commercial partnership to apply generative AI end-to-end to new material design for PFAS remediation, with previous efforts limited to AI-assisted screening of existing structures rather than generating entirely new ones from scratch.

“This partnership has shown us what AI-driven materials design looks like when it meets real industrial requirements,” said Mr. Antti Salminen, President and CEO of Kemira. “We set a demanding brief: design new materials that can remove forever chemicals from water at trace concentrations, using chemistry that is stable, sustainable, and manufacturable, and speeding up the discovery phase of our discovery process. We now have a credible path toward a next-generation PFAS remediation product, and we look forward to further collaboration with CuspAI team.”

PFAS are persistent synthetic chemicals subject to tightening regulation globally, including US EPA maximum contaminant limits set in 2024 and the EU Drinking Water Directive. Granular activated carbon is currently the leading remediation technology; Kemira, which is already active in the activated carbon regeneration market, initiated the project to explore more selective and longer-lasting alternatives.

The project also identified new functional group chemistries with potential for broader adsorption applications. Further programmes across additional material classes are being scoped under a framework agreement between the two companies.