GRANUCCI, GIOVANNI Statistiche
GRANUCCI, GIOVANNI
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Computational design of covalently bound dimers for singlet fission
2023-01-01 Accomasso, D.; Ben Amor, N.; Persico, M.; Granucci, G.
Dual photoisomerization mechanism of azobenzene embedded in a lipid membrane
2023-01-01 Osella, Silvio; Granucci, Giovanni; Persico, Maurizio; Knippenberg, Stefan
Effect of Initial Conditions Sampling on Surface Hopping Simulations in the Ultrashort and Picosecond Time Range. Azomethane Photodissociation as a Case Study
2023-01-01 Pieroni, Carlotta; Becuzzi, Filippo; Creatini, Luigi; Granucci, Giovanni; Persico, Maurizio
The radiative surface hopping (RSH) algorithm: Capturing fluorescence events in molecular systems within a semi-classical non-adiabatic molecular dynamics framework
2023-01-01 Pérez-Escribano, Manuel; Jankowska, Joanna; Granucci, Giovanni; Escudero, Daniel
Computational design of singlet fission biradicaloid chromophores
2022-01-01 Accomasso, Davide; Persico, Maurizio; Granucci, Giovanni
Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls
2022-01-01 Sangiogo Gil, Eduarda; Persico, Maurizio; Granucci, Giovanni
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
2022-01-01 Barbatti, Mario; Bondanza, Mattia; Crespo-Otero, Rachel; Demoulin, Baptiste; Dral, Pavlo O; Granucci, Giovanni; Kossoski, Fábris; Lischka, Hans; Mennucci, Benedetta; Mukherjee, Saikat; Pederzoli, Marek; Persico, Maurizio; Pinheiro, Max; Pittner, Jiří; Plasser, Felix; Sangiogo Gil, Eduarda; Stojanovic, Ljiljana
Protein control of photochemistry and transient intermediates in phytochromes
2022-01-01 Salvadori, Giacomo; Macaluso, Veronica; Pellicci, Giulia; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
The Quantum Decoherence Problem in Nonadiabatic Trajectory Methods
2022-01-01 Persico, Maurizio; Granucci, Giovanni; Accomasso, Davide
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State
2022-01-01 Accomasso, Davide; Arslancan, Serra; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Multiscale Models for Light-Driven Processes
2021-01-01 Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Granucci, Giovanni; Mennucci, Benedetta
Photoisomerization dynamics of spiropyran: A surface-hopping investigation
2021-01-01 Granucci, G.; Padula, G.
Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions
2021-01-01 Yao, Yuxuan; Hase, William L.; Granucci, Giovanni; Persico, Maurizio
Singlet fission in covalent dimers of methylene-locked 1,3-diphenyl-isobenzofuran: semiclassical simulations of nonadiabatic dynamics
2021-01-01 Accomasso, Davide; Granucci, Giovanni; Persico, Maurizio
Surface Hopping Dynamics with the Frenkel Exciton Model in a Semiempirical Framework
2021-01-01 Sangiogo Gil, E.; Granucci, G.; Persico, M.
Delocalization effects in singlet fission: Comparing models with two and three interacting molecules
2020-01-01 Accomasso, D.; Granucci, G.; Wibowo, M.; Persico, M.
Photochemistry in the strong coupling regime: A trajectory surface hopping scheme
2020-01-01 Fregoni, J.; Corni, S.; Persico, M.; Granucci, G.
Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene
2020-01-01 Fregoni, J.; Granucci, G.; Persico, M.; Corni, S.
Surface Hopping Dynamics for Azobenzene Photoisomerization: Effects of Packing Density on Surfaces, Fluorination, and Excitation Wavelength
2020-01-01 Rietze, Clemens; Titov, Evgenii; Granucci, Giovanni; Saalfrank, Peter
Diabatization by localization in the framework of configuration interaction based on floating occupation molecular orbitals (FOMO-CI).
2019-01-01 Accomasso, Davide; Granucci, Giovanni; Persico, Maurizio