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Mladineo, Bruno; Juaristi, J. Iñaki; Alducin, Maite; Saalfrank, Peter; Lončarić, Ivor (2025) Photoinduced dynamics of CO on Ru(0001): Understanding experiments by simulations with all degrees of freedom. The Journal of Chemical Physics, 163 (4). ISSN 0021-9606
Hunnisett, Lily M.; Lončarić, Ivor; Mladineo, Bruno (2024) The seventh blind test of crystal structure prediction: structure ranking methods. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 80 (6). ISSN 2052-5206
Mladineo, Bruno; Lončarić, Ivor (2024) Thermosalient Phase Transitions from Machine Learning Interatomic Potential. Crystal Growth & Design, 24 (20). pp. 8167-8173. ISSN 1528-7483
Ovčar, Juraj; Grisanti, Luca; Mladineo, Bruno; Djurišić, Aleksandra B.; Popović, Jasminka; Lončarić, Ivor (2023) Crystal structure prediction of quasi-two-dimensional lead halide perovskites. Physical Review B, 107 (17). ISSN 2469-9950