Cite
Brunin, G.; Rignanese, G.; Waroquiers, D.; de Paz-Castany, R.; Arredondo-López, A.; Eiler, K.; Nicolenco, A.; Lekka, M.; Quintana, A.; Rius, G.; Spasojevic, I.; Salicio, A.; García-Lecina, E.; Collet, T.; Hubin, A.; Menéndez, E.; Sort, J.; Pellicer, E. Atomic modelling using density-functional theory and machine-learned interatomic potentials, and process optimization through active learning, in Proceedings of the Coatings 2026: Safe and Sustainable by Design Surface Treatment and Coatings, Athens, 20–22 April 2026, MDPI: Basel, Switzerland, doi: