CUPELLINI, LORENZO Statistiche

CUPELLINI, LORENZO  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

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Titolo Data di pubblicazione Autore(i) File
Electronic Excited States from Physically Constrained Machine Learning 1-gen-2024 Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele
Electrostatic embedding machine learning for ground and excited state molecular dynamics of solvated molecules 1-gen-2024 Mazzeo, Patrizia; Cignoni, Edoardo; Arcidiacono, Amanda; Cupellini, Lorenzo; Mennucci, Benedetta
Energetic Landscape and Terminal Emitters of Phycobilisome Cores from Quantum Chemical Modeling 1-gen-2024 Cupellini, Lorenzo; Gwizdala, Michal; Krüger, Tjaart P. J.
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol 1-gen-2024 Nottoli, M.; Vanich, E.; Cupellini, L.; Scalmani, G.; Pelosi, C.; Lipparini, F.
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations 1-gen-2024 Betti, E.; Saraceno, P.; Cignoni, E.; Cupellini, L.; Mennucci, B.
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning 1-gen-2024 Arcidiacono, A.; Cignoni, E.; Mazzeo, P.; Cupellini, L.; Mennucci, B.
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations 1-gen-2024 Saraceno, Piermarco; Sardar, Samim; Caferri, Roberto; Camargo, Franco V. A.; Dall'Osto, Luca; D'Andrea, Cosimo; Bassi, Roberto; Cupellini, Lorenzo; Cerullo, Giulio; Mennucci, Benedetta
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes 1-gen-2024 Sauer, Paul V.; Cupellini, Lorenzo; Sutter, Markus; Bondanza, Mattia; Agustina Domínguez Martin, María; Kirst, Henning; Bína, David; Fujiet Koh, Adrian; Kotecha, Abhay; Greber, Basil J.; Nogales, Eva; Polívka, Tomáš; Mennucci, Benedetta; Kerfeld, Cheryl A.
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants 1-gen-2024 Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics 1-gen-2024 Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
Theoretical description of photoinduced electron transfer in donor-acceptor supramolecular complexes based on carbon buckybowls 1-gen-2024 Rubert-Albiol, R.; Cerda, J.; Calbo, J.; Cupellini, L.; Orti, E.; Arago, J.
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII 1-gen-2024 Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
A ΔSCF model for excited states within a polarisable embedding 1-gen-2023 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response 1-gen-2023 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
Enabling Stereochemical Communication and Stimuli-Responsive Chiroptical Properties in Biphenyl-Capped Cyclodextrins 1-gen-2023 Preda, Giovanni; Jung, Sebastian; Pescitelli, Gennaro; Cupellini, Lorenzo; Armspach, Dominique; Pasini, Dario
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor 1-gen-2023 Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B.
First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex 1-gen-2023 Saraceno, Piermarco; Slama, Vladislav; Cupellini, Lorenzo
How orange carotenoid protein controls the excited state dynamics of canthaxanthin 1-gen-2023 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses 1-gen-2023 Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures 1-gen-2023 Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta