The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Ferrer, Maxime Munarriz, Julen Stuyver, Thijs Laplaza, Ruben The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Chemistry (Weinh.)

10.1002/chem.71022 2026

2026