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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"Mario Barbatti"
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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
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