Selected Publications
P. Mazzeo, E. Cignoni, A. Arcidiacono, L. Cupellini, B. Mennucci,
Electrostatic embedding machine learning for ground and excited state molecular dynamics of solvated molecules
Digital Discovery 2024, 3, 2560 DOI: 10.1039/D4DD00295D
P. Saraceno, S. Sardar, R. Caferri, F.V.A. Camargo, L. Dall’Osto, C. D’Andrea, R. Bassi, L. Cupellini, G. Cerullo, B. Mennucci,
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations
J. Phys. Chem. Lett. 2024, 15, 6398–6408 DOI: 10.1021/acs.jpclett.4c01040
L. Cupellini, D. Calvani, D. Jacquemin, B. Mennucci,
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants.
Nature Communications 2020, 11, 662 DOI: 10.1038/s41467-020-14488-6
L. Cupellini, M. Corbella, B. Mennucci, C. Curutchet,
Electronic energy transfer in biomacromolecules.
WIREs Comput Mol Sci, 2019, 9, e1392 DOI: 10.1002/wcms.1392
L. Cupellini, S. Caprasecca, C. A. Guido, F. Müh, T. Renger, B. Mennucci,
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria.
J. Phys. Chem. Lett. 2018, 9, 6892–6899 DOI: 10.1021/acs.jpclett.8b03233
Recent publications
E. Betti, L. Cupellini, B. Mennucci
Quantum chemical modeling of energy flow and photoprotection in photosystem II
Cell. Rep. Phys. Sci. 2026, 7, 103099, DOI: 10.1016/j.xcrp.2026.103099
P. Saraceno, A. Bhartiya, J. Seibt, T. Renger, T. Kramer, L. Cupellini,
Evaluation of approximate lineshape theories for photosynthetic light-harvesting antennae
J. Chem. Phys. 2026, 164, 044119, DOI: 10.1063/5.0310361
C. A. Guido, L. Cupellini, B. Mennucci, C. Curutchet,
How Dispersion Interactions at the Excited State Can Tune Photochromism of Embedded Chromophores
J. Am. Chem. Soc. 2026, 148, 1847–1857, DOI: 10.1021/jacs.5c19241
P. Saraceno, F. Santoro, L. Cupellini,
Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the Lhca4 Antenna of Photosystem I
J. Phys. Chem. Lett. 2025, DOI: 10.1021/acs.jpclett.5c02463
S. Seki, L. Cupellini, et al.,
Exciton Delocalization Promotes Far-Red Absorption in a Tetrameric Chlorophyll a Light-Harvesting Complex from Trachydiscus minutus
J. Am. Chem. Soc. 2025, 147, 47675–47689 DOI: 10.1021/jacs.5c17299
Full publication list
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