Open access
Jul 2026
Data-driven transfer learning across MOF-derived zirconia polymorphs
Despite extensive investigation of metal-organic framework (MOF) derived materials over the last 20 years, no systematic approach to predict the structural properties of the derived metal oxides is available. We present an integrated machine learning (ML) approach leveraging Smooth Overlap of Atomic Positions (SOAP) an...
David Gryc, I. Kouroudis, Pritam Banerjee et al.
· npj Computational Materials · 0 citations