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Journal of Chemical Theory and Computation|February 11, 2026
Multiscale Machine Learning Prediction of Infrared Spectra of Solvated MoleculesPatrizia Mazzeo, Lorenzo Cupellini, Benedetta MennucciThe Journal of Physical Chemistry Letters|August 21, 2025
Multiscale Simulation of Photoinduced Electron Transfer in Cryptochrome 4 from European Robin and Pigeon Indicates a Conserved DynamicsMariastella Cascone, Patrizia Mazzeo, Lorenzo Cupellini, et al.JACS Au|January 31, 2025
Protein-Driven Electron-Transfer Process in a Fatty Acid PhotodecarboxylaseGiacomo Londi, Giacomo Salvadori, Patrizia Mazzeo, et al.The Journal of Physical Chemistry Letters|January 30, 2023
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin PhotoreceptorPatrizia Mazzeo, Shaima Hashem, Filippo Lipparini, et al.The Journal of Physical Chemistry. A|April 29, 2024
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine LearningAmanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, et al.Journal of Molecular Biology|November 9, 2023
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational ResponseGiacomo Salvadori, Patrizia Mazzeo, Davide Accomasso, et al.Physical Chemistry Chemical Physics : PCCP|December 7, 2017
Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistryLorenzo Cupellini, Samuele Giannini, Benedetta MennucciJournal of Physics. Condensed Matter : an Institute of Physics Journal|May 13, 2022
A fast method for electronic couplings in embedded multichromophoric systemsEdoardo Cignoni, Lorenzo Cupellini, Benedetta MennucciPhysical Chemistry Chemical Physics : PCCP|July 15, 2020
Exciton properties and optical spectra of light harvesting complex II from a fully atomistic descriptionVladislav Sláma, Lorenzo Cupellini, Benedetta MennucciACS Physical Chemistry Au|May 31, 2022
Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption SpectraVladislav Sláma, Lorenzo Cupellini, Benedetta MennucciPageof 25