CUPELLINI, LORENZO Statistiche
CUPELLINI, LORENZO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Electronic Excited States from Physically Constrained Machine Learning
2024-01-01 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
2024-01-01 Mazzeo, Patrizia; Cignoni, Edoardo; Arcidiacono, Amanda; Cupellini, Lorenzo; Mennucci, Benedetta
Energetic Landscape and Terminal Emitters of Phycobilisome Cores from Quantum Chemical Modeling
2024-01-01 Cupellini, Lorenzo; Gwizdala, Michal; Krüger, Tjaart P. J.
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol
2024-01-01 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
2024-01-01 Betti, E.; Saraceno, P.; Cignoni, E.; Cupellini, L.; Mennucci, B.
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning
2024-01-01 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
2024-01-01 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
2024-01-01 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
2024-01-01 Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
2024-01-01 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
2024-01-01 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
2024-01-01 Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
A ΔSCF model for excited states within a polarisable embedding
2023-01-01 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response
2023-01-01 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
Enabling Stereochemical Communication and Stimuli-Responsive Chiroptical Properties in Biphenyl-Capped Cyclodextrins
2023-01-01 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
2023-01-01 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
2023-01-01 Saraceno, Piermarco; Slama, Vladislav; Cupellini, Lorenzo
How orange carotenoid protein controls the excited state dynamics of canthaxanthin
2023-01-01 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses
2023-01-01 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
2023-01-01 Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta
| 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 |