CUPELLINI, LORENZO Statistiche
CUPELLINI, LORENZO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
A symmetry-preserving and transferable representation for learning the Kohn–Sham density matrix
2026-01-01 Zhang, Liwei; Mazzeo, Patrizia; Nottoli, Michele; Cignoni, Edoardo; Cupellini, Lorenzo; Stamm, Benjamin
An Efficient PCM Scheme for ESA Oscillator Strengths within the Unrelaxed TD-DFT Approximation
2026-01-01 Širůček, Jakub; Le Guennic, Boris; Jacquemin, Denis; Mennucci, Benedetta; Cupellini, Lorenzo
Atomistic simulations reveal the photoactivation mechanism of a carotenoid-binding photoreceptor
2026-01-01 Arcidiacono, Amanda; Bondanza, Mattia; Cupellini, Lorenzo; Mennucci, Benedetta
Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennae
2026-01-01 Saraceno, Piermarco; Bhartiya, Akhil; Seibt, Joachim; Renger, Thomas; Kramer, Tobias; Cupellini, Lorenzo
How Dispersion Interactions at the Excited State Can Tune Photochromism of Embedded Chromophores
2026-01-01 Guido, Ciro A.; Cupellini, Lorenzo; Mennucci, Benedetta; Curutchet, Carles
Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments
2026-01-01 John, C.; Cignoni, E.; Cupellini, L.; Mennucci, B.
Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules
2026-01-01 Mazzeo, P.; Cupellini, L.; Mennucci, B.
Quantum chemical modeling of energy flow and photoprotection in photosystem II
2026-01-01 Betti, E.; Cupellini, L.; Mennucci, B.
Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations
2026-01-01 Sirucek, J.; Le Guennic, B.; Cupellini, L.; Jacquemin, D.
Vibronic Reorganization Suppresses Salinixanthin-to-Retinal Energy Transfer in the Freshwater Kin4B8 Xanthorhodopsin
2026-01-01 Salvadori, Giacomo; Saraceno, Piermarco; John, Chris; Cupellini, Lorenzo; Pedraza-González, Laura
Exciton Delocalization Promotes Far-Red Absorption in a Tetrameric Chlorophyll a Light-Harvesting Complex from Trachydiscus minutus
2025-01-01 Seki, Soichiro; Cupellini, Lorenzo; Bína, David; Betti, Elena; Urajová, Petra; Tanaka, Hideaki; Miyata, Tomoko; Namba, Keiichi; Kurisu, Genji; Polívka, Tomáš; Litvín, Radek; Fujii, Ritsuko
Multiscale Simulation of Photoinduced Electron Transfer in Cryptochrome 4 from European Robin and Pigeon Indicates a Conserved Dynamics
2025-01-01 Cascone, M.; Mazzeo, P.; Cupellini, L.; Mennucci, B.
On the breakdown of Förster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin
2025-01-01 Gonzalo, Daniel; Cupellini, Lorenzo; Curutchet, Carles
Origins of curvature in meso-tetra(4-sulfonatophenyl) porphine aggregation: molecular dynamics and electronic spectroscopy
2025-01-01 Baliulyte, Laura; Urniezius, Eimantas; Bubilaitis, Vytautas; Macernis, Mindaugas; Cupellini, Lorenzo; Abramavicius, Darius
Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the Lhca4 Antenna of Photosystem I
2025-01-01 Saraceno, P.; Santoro, F.; Cupellini, L.
Structural determinants for red-shifted absorption in higher-plants Photosystem I
2025-01-01 Capaldi, S.; Guardini, Z.; Montepietra, D.; Pagliuca, V. F.; Amelii, A.; Betti, E.; John, C.; Pedraza-Gonzalez, L.; Cupellini, L.; Mennucci, B.; Bonnet, D. M. V.; Chaves-Sanjuan, A.; Dall'Osto, L.; Bassi, R.
Transforming achiral semiconductors into chiral domains with exceptional circular dichroism
2025-01-01 Ugras, Thomas J.; Carson, River B.; Lynch, Reilly P.; Li, Haoyang; Yao, Yuan; Cupellini, Lorenzo; Page, Kirt A.; Wang, Da; Arbe, Arantxa; Bals, Sara; Smieska, Louisa; Woll, Arthur R.; Arteaga, Oriol; Jávorfi, Tamás; Siligardi, Giuliano; Pescitelli, Gennaro; Weinstein, Steven J.; Robinson, Richard D.
A Computational Approach to Modeling Excitation Energy Transfer and Quenching in Light-Harvesting Complexes
2024-01-01 John, Chris; Pedraza-González, Laura; Betti, Elena; Cupellini, Lorenzo; Mennucci, Benedetta
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
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A symmetry-preserving and transferable representation for learning the Kohn–Sham density matrix | 1-gen-2026 | Zhang, Liwei; Mazzeo, Patrizia; Nottoli, Michele; Cignoni, Edoardo; Cupellini, Lorenzo; Stamm, Benjamin | |
| An Efficient PCM Scheme for ESA Oscillator Strengths within the Unrelaxed TD-DFT Approximation | 1-gen-2026 | Širůček, Jakub; Le Guennic, Boris; Jacquemin, Denis; Mennucci, Benedetta; Cupellini, Lorenzo | |
| Atomistic simulations reveal the photoactivation mechanism of a carotenoid-binding photoreceptor | 1-gen-2026 | Arcidiacono, Amanda; Bondanza, Mattia; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennae | 1-gen-2026 | Saraceno, Piermarco; Bhartiya, Akhil; Seibt, Joachim; Renger, Thomas; Kramer, Tobias; Cupellini, Lorenzo | |
| How Dispersion Interactions at the Excited State Can Tune Photochromism of Embedded Chromophores | 1-gen-2026 | Guido, Ciro A.; Cupellini, Lorenzo; Mennucci, Benedetta; Curutchet, Carles | |
| Machine-Learning Framework for Excitation Energies of Chromophores in Polarizable Environments | 1-gen-2026 | John, C.; Cignoni, E.; Cupellini, L.; Mennucci, B. | |
| Multiscale Machine Learning Prediction of Infrared Spectra of Solvated Molecules | 1-gen-2026 | Mazzeo, P.; Cupellini, L.; Mennucci, B. | |
| Quantum chemical modeling of energy flow and photoprotection in photosystem II | 1-gen-2026 | Betti, E.; Cupellini, L.; Mennucci, B. | |
| Shortcomings of Linear-Response TD-DFT for ESA Oscillator Strength Calculations | 1-gen-2026 | Sirucek, J.; Le Guennic, B.; Cupellini, L.; Jacquemin, D. | |
| Vibronic Reorganization Suppresses Salinixanthin-to-Retinal Energy Transfer in the Freshwater Kin4B8 Xanthorhodopsin | 1-gen-2026 | Salvadori, Giacomo; Saraceno, Piermarco; John, Chris; Cupellini, Lorenzo; Pedraza-González, Laura | |
| Exciton Delocalization Promotes Far-Red Absorption in a Tetrameric Chlorophyll a Light-Harvesting Complex from Trachydiscus minutus | 1-gen-2025 | Seki, Soichiro; Cupellini, Lorenzo; Bína, David; Betti, Elena; Urajová, Petra; Tanaka, Hideaki; Miyata, Tomoko; Namba, Keiichi; Kurisu, Genji; Polívka, Tomáš; Litvín, Radek; Fujii, Ritsuko | |
| Multiscale Simulation of Photoinduced Electron Transfer in Cryptochrome 4 from European Robin and Pigeon Indicates a Conserved Dynamics | 1-gen-2025 | Cascone, M.; Mazzeo, P.; Cupellini, L.; Mennucci, B. | |
| On the breakdown of Förster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin | 1-gen-2025 | Gonzalo, Daniel; Cupellini, Lorenzo; Curutchet, Carles | |
| Origins of curvature in meso-tetra(4-sulfonatophenyl) porphine aggregation: molecular dynamics and electronic spectroscopy | 1-gen-2025 | Baliulyte, Laura; Urniezius, Eimantas; Bubilaitis, Vytautas; Macernis, Mindaugas; Cupellini, Lorenzo; Abramavicius, Darius | |
| Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the Lhca4 Antenna of Photosystem I | 1-gen-2025 | Saraceno, P.; Santoro, F.; Cupellini, L. | |
| Structural determinants for red-shifted absorption in higher-plants Photosystem I | 1-gen-2025 | Capaldi, S.; Guardini, Z.; Montepietra, D.; Pagliuca, V. F.; Amelii, A.; Betti, E.; John, C.; Pedraza-Gonzalez, L.; Cupellini, L.; Mennucci, B.; Bonnet, D. M. V.; Chaves-Sanjuan, A.; Dall'Osto, L.; Bassi, R. | |
| Transforming achiral semiconductors into chiral domains with exceptional circular dichroism | 1-gen-2025 | Ugras, Thomas J.; Carson, River B.; Lynch, Reilly P.; Li, Haoyang; Yao, Yuan; Cupellini, Lorenzo; Page, Kirt A.; Wang, Da; Arbe, Arantxa; Bals, Sara; Smieska, Louisa; Woll, Arthur R.; Arteaga, Oriol; Jávorfi, Tamás; Siligardi, Giuliano; Pescitelli, Gennaro; Weinstein, Steven J.; Robinson, Richard D. | |
| A Computational Approach to Modeling Excitation Energy Transfer and Quenching in Light-Harvesting Complexes | 1-gen-2024 | John, Chris; Pedraza-González, Laura; Betti, Elena; Cupellini, Lorenzo; Mennucci, Benedetta | |
| 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 |