SEGATTA, FRANCESCO
SEGATTA, FRANCESCO
DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"
Ricercatori a tempo determinato
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes
2017 Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taioli, Simone; Garavelli, Marco; Mennucci, Benedetta
Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy
2021 Nam Y.; Keefer D.; Nenov A.; Conti I.; Aleotti F.; Segatta F.; Lee J.Y.; Garavelli M.; Mukamel S.
Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields
2021 Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S.
Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections
2020 Segatta F.; Nenov A.; Orlandi S.; Arcioni A.; Mukamel S.; Garavelli M.
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction
2021 Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Garavelli, Marco; Mukamel, Shaul
In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye
2021 Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A.; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M.
iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software
2021 Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M.
Manipulating Core Excitations in Molecules by X-Ray Cavities
2021 Gu B.; Nenov A.; Segatta F.; Garavelli M.; Mukamel S.
Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine
2020 Segarra-Marti J.; Segatta F.; Mackenzie T.A.; Nenov A.; Rivalta I.; Bearpark M.J.; Garavelli M.
Modeling Nonperturbative Field-Driven Vibronic Dynamics: Selective State Preparation and Nonlinear Spectroscopy
2021 Justin Provazza, Francesco Segatta, David F. Coker
Modern quantum chemistry with [open]molcas
2020 Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De Vico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V.
Monitoring ultrafast photoisomerization of azobenzene by time-resolved x-ray diffraction
2020 Keefer D.; Aleotti F.; Rouxel J.; Segatta F.; Gu B.; Nenov A.; Garavelli M.; Mukamel S.
Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides
2021 Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D.
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions
2023 Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A.
Predicting Charge Mobility of Organic Semiconductors with Complex Morphology
2018 Segatta, Francesco; Lattanzi, Gianluca; Faccioli, Pietro
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems
2019 Segatta F.; Cupellini L.; Garavelli M.; Mennucci B.
Quantum coherence in complex environments: General discussion
2019 Alvertis A.M.; Barford W.; Worster S.B.; Burghardt I.; Datta A.; Dijkstra A.; Fay T.; Ghosh S.; Grunbaum T.; Habershon S.; Hore P.J.; Hutchinson D.; Iyengar S.; Jones A.R.; Jones G.; Komarova K.; Lawrence J.; Leonard J.; Litman Y.; Mannouch J.; Manolopoulos D.; Martens C.; Mondelo-Martell M.; Picconi D.; Plant D.; Sakaushi K.; Saller M.A.C.; Schile A.; Scholes G.D.; Segarra-Mart J.; Segatta F.; Troisi A.; Worth G.
Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy
2018 Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes
2022 Montorsi, Francesco; Segatta, Francesco; Nenov, Artur; Mukamel, Shaul; Garavelli, Marco
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes
2022 Montorsi F.; Segatta F.; Nenov A.; Mukamel S.; Garavelli M.
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes | Segatta, Francesco; Cupellini, Lorenzo; Jurinovich, Sandro; Mukamel, Shaul; Dapor, Maurizio; Taio...li, Simone; Garavelli, Marco; Mennucci, Benedetta | 2017-01-01 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - | 1.01 Articolo in rivista | LH2_2D.pdf |
| Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy | Nam Y.; Keefer D.; Nenov A.; Conti I.; Aleotti F.; Segatta F.; Lee J.Y.; Garavelli M.; Mukamel S. | 2021-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | JPCL_MainText.pdf; JPCL_SuppInfo.pdf |
| Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields | Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S. | 2021-01-01 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - | 1.01 Articolo in rivista | azob_oct_rev1.pdf |
| Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections | Segatta F.; Nenov A.; Orlandi S.; Arcioni A.; Mukamel S.; Garavelli M. | 2020-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | Manuscript_Garavellipdf.pdf |
| Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction | Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Ga...ravelli, Marco; Mukamel, Shaul | 2021-01-01 | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | - | 1.01 Articolo in rivista | Mukamel_21_PNAS_Azobenzene_X-ray_diffraction.pdf |
| In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye | Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A....; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M. | 2021-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | 92_PBI.pdf; si_92_PBI.pdf |
| iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software | Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M. | 2021-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | iSPECTRON.pdf |
| Manipulating Core Excitations in Molecules by X-Ray Cavities | Gu B.; Nenov A.; Segatta F.; Garavelli M.; Mukamel S. | 2021-01-01 | PHYSICAL REVIEW LETTERS | - | 1.01 Articolo in rivista | PRLett_accepted_Garavelli.pdf |
| Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine | Segarra-Marti J.; Segatta F.; Mackenzie T.A.; Nenov A.; Rivalta I.; Bearpark M.J.; Garavelli M. | 2020-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | Faraday_v2.pdf |
| Modeling Nonperturbative Field-Driven Vibronic Dynamics: Selective State Preparation and Nonlinear Spectroscopy | Justin Provazza, Francesco Segatta, David F. Coker | 2021-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | PLDM_FIELD_DRIVEN_0.pdf |
| Modern quantum chemistry with [open]molcas | Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De V...ico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V. | 2020-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | Quantum_chemistry_Garavelli_compressed.pdf |
| Monitoring ultrafast photoisomerization of azobenzene by time-resolved x-ray diffraction | Keefer D.; Aleotti F.; Rouxel J.; Segatta F.; Gu B.; Nenov A.; Garavelli M.; Mukamel S. | 2020-01-01 | - | - | 4.01 Contributo in Atti di convegno | - |
| Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides | Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D. | 2021-01-01 | MOLECULES | - | 1.01 Articolo in rivista | molecules-26-00396.pdf |
| Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions | Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A. | 2023-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| Predicting Charge Mobility of Organic Semiconductors with Complex Morphology | Segatta, Francesco; Lattanzi, Gianluca; Faccioli, Pietro | 2018-01-01 | MACROMOLECULES | - | 1.01 Articolo in rivista | - |
| Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems | Segatta F.; Cupellini L.; Garavelli M.; Mennucci B. | 2019-01-01 | CHEMICAL REVIEWS | - | 1.01 Articolo in rivista | FocRev_Multi.pdf |
| Quantum coherence in complex environments: General discussion | Alvertis A.M.; Barford W.; Worster S.B.; Burghardt I.; Datta A.; Dijkstra A.; Fay T.; Ghosh S.; G...runbaum T.; Habershon S.; Hore P.J.; Hutchinson D.; Iyengar S.; Jones A.R.; Jones G.; Komarova K.; Lawrence J.; Leonard J.; Litman Y.; Mannouch J.; Manolopoulos D.; Martens C.; Mondelo-Martell M.; Picconi D.; Plant D.; Sakaushi K.; Saller M.A.C.; Schile A.; Scholes G.D.; Segarra-Mart J.; Segatta F.; Troisi A.; Worth G. | 2019-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
| Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy | Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F | 2018-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | nonlinear_spectroscopy.pdf |
| Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes | Montorsi, Francesco; Segatta, Francesco; Nenov, Artur; Mukamel, Shaul; Garavelli, Marco | 2022-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes | Montorsi F.; Segatta F.; Nenov A.; Mukamel S.; Garavelli M. | 2022-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | Segatta_22_JCTC_NEXAFS_with_RASPT2.pdf; Segatta_22_JCTC_NEXAFS_with_RASPT2_SI.pdf |