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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 Chemical Physics|April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculationsMichele Nottoli, Damiano Castrignano', 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.The Journal of Physical Chemistry Letters|October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular DynamicsFederica Pes, Étienne Polack, Patrizia Mazzeo, et al.Pageof 1