Mario Barbatti
Affiliations: | 2010-2015 | Max Planck Institute for Coal Research, Mülheim an der Ruhr, Nordrhein-Westfalen, Germany | |
| 2015- | AIx-Marseille Universités, Marseille, Provence-Alpes-Côte d'Azur, France |
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Parents
Sign in to add mentor| Ginette Jalbert | grad student | 2001 | Federal University of Rio de Janeiro, Brazil (Chemistry Tree) |
| Carlos Eduardo Bielschowsky | post-doc | 2001-2003 | Federal University of Rio de Janeiro |
| Hans Lischka | post-doc | 2004-2010 | University of Vienna (Chemistry Tree) |
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Publications
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| Martyka M, Zhang L, Ge F, et al. (2025) Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning. Npj Computational Materials. 11: 132 |
| Souza Mattos R, Mukherjee S, Barbatti M. (2025) Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics. Journal of Chemical Theory and Computation |
| Pinheiro M, de Oliveira Bispo M, Mattos RS, et al. (2025) ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning. Digital Discovery |
| Romanov I, Boeije Y, Toldo JM, et al. (2024) Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular Beams. The Journal of Physical Chemistry. A |
| Mukherjee S, Lassmann Y, Mattos RS, et al. (2024) Assessing Nonadiabatic Dynamics Methods in Long Timescales. Journal of Chemical Theory and Computation |
| Al-Jaaidi A, Toldo JM, Barbatti M. (2024) Ultrafast Dynamics of Diketopyrrolopyrrole Dimers. Journal of Computational Chemistry. 46: e27547 |
| Parolin G, Garain BC, Mukherjee S, et al. (2024) Conformational dynamics of the pyrene excimer. Physical Chemistry Chemical Physics : Pccp |
| Yoshinaga M, Toldo JM, Rocha WR, et al. (2024) Photoisomerization pathways of -resveratrol. Physical Chemistry Chemical Physics : Pccp. 26: 24179-24188 |
| Liu S, Lee Y, Chen L, et al. (2024) Unexpected longer T lifetime of 6-sulfur guanine than 6-selenium guanine: the solvent effect of hydrogen bonds to brake the triplet decay. Physical Chemistry Chemical Physics : Pccp |
| Mukherjee S, Mattos RS, Toldo JM, et al. (2024) Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods. The Journal of Chemical Physics. 160 |