Résumé
This Corrigendum reports a technical correction to the original article concerning the application of the DFT+U methodology in first-principles molecular dynamics simulations of the UO2–water interface. The Hubbard correction was inadvertently applied to the uranium d orbitals instead of the intended 5f states. Recalculations using the corrected +U(5f) setup lead to quantitative revisions of magnetic ordering, surface energies, and single-molecule water adsorption energetics. Importantly, the relative stability of UO2 surfaces, adsorption trends, and the mechanistic conclusions regarding surface hydration and reactivity remain unchanged. These results confirm the robustness of the original physicochemical interpretations while providing a corrected and physically consistent energetic framework.