MAZZEO, PATRIZIA Statistiche
MAZZEO, PATRIZIA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
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
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.
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
2023-01-01 Pes, Federica; Polack, Étienne; Mazzeo, Patrizia; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response
2023-01-01 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
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.
QM/AMOEBA description of properties and dynamics of embedded molecules
2023-01-01 Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| 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 | |
| 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. | |
| A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics | 1-gen-2023 | Pes, Federica; Polack, Étienne; Mazzeo, Patrizia; Dusson, Geneviève; Stamm, Benjamin; Lipparini, Filippo | |
| Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response | 1-gen-2023 | Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta | |
| 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. | |
| QM/AMOEBA description of properties and dynamics of embedded molecules | 1-gen-2023 | Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F. |