Discovery of materials for solar thermochemical hydrogen combining machine learning, computational chemistry, experiments and system simulations - Perry,J.; Molina,L.; de la Calle,A.; Peño,R.; Jones,T.W.; Ganduglia-Pirovano,M.V.; Jiménez-Fernández,S.; Donne,S.W.; Coronado,J.M.; Bayon,A. (npj Computational Materials, 2025)