PRAMPOLINI, GIACOMO
PRAMPOLINI, GIACOMO
Istituto di Chimica dei Composti Organo Metallici - ICCOM - Sede Secondaria Pisa
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches
2025 Daoud, Razan E.; Veglianti, Simone; Piras, Anna; Semmeq, Abderrahmane; Giannini, Samuele; Prampolini, Giacomo; Padula, Daniele
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations
2025 Cantina, Marta; Padula, Daniele; Segalina, Alekos; Giannini, Samuele; Santoro, Fabrizio; Prampolini, Giacomo; Pastore, Mariachiara
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach
2025 Moumene, Houda; Prampolini, Giacomo; García-Iriepa, Cristina; Cerezo, Javier; Navizet, Isabelle; Santoro, Fabrizio
Effect of thermal disorder on the electronic structure and the charge mobility of acenes
2025 Landi, Alessandro; Ambrosio, Francesco; Leo, Anna; Padula, Daniele; Prampolini, Giacomo; Peluso, Andrea
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields
2025 Giannini, Samuele; Martinez, P. M.; Semmeq, Abderrahmane; Galvez, J. Pablo; Piras, Anna; Landi, Alessandro; Padula, Daniele; Vilhena, J. G.; Cerezo, Javier; Prampolini, Giacomo
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide
2025 Aarabi, Mohammad; Gholami, Samira; Giannini, Samuele; Garavelli, Marco; Prampolini, Giacomo; Santoro, Fabrizio
NORA: non-adiabatic dynamics with force-field based representation. Application to photoisomerization in biomimetic photoswitches
2025 Losantos, Raúl; Prampolini, Giacomo; Monari, Antonio
On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers
2025 D'Astolfo, Philipp; Vilhena, J. G.; Rothenbühler, Simon; Drechsel, Carl; Gutiérrez-Varela, Oscar; Häner, Robert; Decurtins, Silvio; Liu, Shi-Xia; Prampolini, Giacomo; Pawlak, Rémy; Meyer, Ernst
Phonon interference in single-molecule junctions
2025 Yelishala, Sai C.; Zhu, Yunxuan; Martinez, P. M.; Chen, Hongxuan; Habibi, Mohammad; Prampolini, Giacomo; Cuevas, Juan Carlos; Zhang, Wei; Vilhena, J. G.; Cui, Longji
Solvent effects on the second harmonic responses of donor–acceptor Stenhouse adducts: from implicit to hybrid solvation models
2025 Dellai, Angela; Krismer, Isabella; Prampolini, Giacomo; Champagne, Benoît; Ramos, Tárcius N.; Castet, Frédéric
Temperature effects on the conformational dynamics and nonlinear optical properties of donor–acceptor Stenhouse adducts in chloroform solution
2025 Dellai, Angela; Naim, Carmelo; Ramos, Tárcius N.; Champagne, Benoît; Prampolini, Giacomo; Castet, Frédéric
A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives
2024 Losantos, Raúl; Prampolini, Giacomo; Monari, Antonio
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor
2024 Giannini, Samuele; Cerdá, Jesús; Prampolini, Giacomo; Santoro, Fabrizio; Beljonne, David
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations
2024 Dellai, Angela; Naim, Carmelo; Cerezo, Javier; Prampolini, Giacomo; Castet, Frédéric
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
2024 Cerezo, Javier; Gierschner, Johannes; Santoro, Fabrizio; Prampolini, Giacomo
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties
2024 Prampolini, Giacomo; Andersen, Amity; I Poulter, Benjamin; Khalil, Munira; Govind, Niranjan; Biasin, Elisa; Pastore, Mariachiara
Molecular Tribology: Chemically Engineering Energy Dissipation at the Nanoscale
2024 Gutiérrez-Varela, Oscar; Pawlak, Rémy; Prampolini, Giacomo; Meyer, Ernst; Vilhena, Jose Guilherme
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
2024 Cigrang, L. L. E.; Green, J. A.; Gómez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A.
Tautomeric contributions to the absorption spectrum of [2,2'-bipyridyl]-3,3'-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields
2024 Prampolini, Giacomo; K Porwal, Vishal; Carof, Antoine; Ingrosso, Francesca
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors
2023 Padula, Daniele; Landi, Alessandro; Prampolini, Giacomo
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches | 1-gen-2025 | Daoud, Razan E.; Veglianti, Simone; Piras, Anna; Semmeq, Abderrahmane; Giannini, Samuele; Prampolini, Giacomo; Padula, Daniele | |
| Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations | 1-gen-2025 | Cantina, Marta; Padula, Daniele; Segalina, Alekos; Giannini, Samuele; Santoro, Fabrizio; Prampolini, Giacomo; Pastore, Mariachiara | |
| Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach | 1-gen-2025 | Moumene, Houda; Prampolini, Giacomo; García-Iriepa, Cristina; Cerezo, Javier; Navizet, Isabelle; Santoro, Fabrizio | |
| Effect of thermal disorder on the electronic structure and the charge mobility of acenes | 1-gen-2025 | Landi, Alessandro; Ambrosio, Francesco; Leo, Anna; Padula, Daniele; Prampolini, Giacomo; Peluso, Andrea | |
| JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields | 1-gen-2025 | Giannini, Samuele; Martinez, P. M.; Semmeq, Abderrahmane; Galvez, J. Pablo; Piras, Anna; Landi, Alessandro; Padula, Daniele; Vilhena, J. G.; Cerezo, Javier; Prampolini, Giacomo | |
| Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide | 1-gen-2025 | Aarabi, Mohammad; Gholami, Samira; Giannini, Samuele; Garavelli, Marco; Prampolini, Giacomo; Santoro, Fabrizio | |
| NORA: non-adiabatic dynamics with force-field based representation. Application to photoisomerization in biomimetic photoswitches | 1-gen-2025 | Losantos, Raúl; Prampolini, Giacomo; Monari, Antonio | |
| On-Surface Synthesis and Cryogenic Exfoliation of Sterically Frustrated Atropisomers | 1-gen-2025 | D'Astolfo, Philipp; Vilhena, J. G.; Rothenbühler, Simon; Drechsel, Carl; Gutiérrez-Varela, Oscar; Häner, Robert; Decurtins, Silvio; Liu, Shi-Xia; Prampolini, Giacomo; Pawlak, Rémy; Meyer, Ernst | |
| Phonon interference in single-molecule junctions | 1-gen-2025 | Yelishala, Sai C.; Zhu, Yunxuan; Martinez, P. M.; Chen, Hongxuan; Habibi, Mohammad; Prampolini, Giacomo; Cuevas, Juan Carlos; Zhang, Wei; Vilhena, J. G.; Cui, Longji | |
| Solvent effects on the second harmonic responses of donor–acceptor Stenhouse adducts: from implicit to hybrid solvation models | 1-gen-2025 | Dellai, Angela; Krismer, Isabella; Prampolini, Giacomo; Champagne, Benoît; Ramos, Tárcius N.; Castet, Frédéric | |
| Temperature effects on the conformational dynamics and nonlinear optical properties of donor–acceptor Stenhouse adducts in chloroform solution | 1-gen-2025 | Dellai, Angela; Naim, Carmelo; Ramos, Tárcius N.; Champagne, Benoît; Prampolini, Giacomo; Castet, Frédéric | |
| A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives | 1-gen-2024 | Losantos, Raúl; Prampolini, Giacomo; Monari, Antonio | |
| Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor | 1-gen-2024 | Giannini, Samuele; Cerdá, Jesús; Prampolini, Giacomo; Santoro, Fabrizio; Beljonne, David | |
| Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations | 1-gen-2024 | Dellai, Angela; Naim, Carmelo; Cerezo, Javier; Prampolini, Giacomo; Castet, Frédéric | |
| Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene | 1-gen-2024 | Cerezo, Javier; Gierschner, Johannes; Santoro, Fabrizio; Prampolini, Giacomo | |
| Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties | 1-gen-2024 | Prampolini, Giacomo; Andersen, Amity; I Poulter, Benjamin; Khalil, Munira; Govind, Niranjan; Biasin, Elisa; Pastore, Mariachiara | |
| Molecular Tribology: Chemically Engineering Energy Dissipation at the Nanoscale | 1-gen-2024 | Gutiérrez-Varela, Oscar; Pawlak, Rémy; Prampolini, Giacomo; Meyer, Ernst; Vilhena, Jose Guilherme | |
| Non-adiabatic direct quantum dynamics using force fields: Toward solvation | 1-gen-2024 | Cigrang, L. L. E.; Green, J. A.; Gómez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A. | |
| Tautomeric contributions to the absorption spectrum of [2,2'-bipyridyl]-3,3'-diol in water unveiled by molecular dynamics with accurate quantum mechanically derived force-fields | 1-gen-2024 | Prampolini, Giacomo; K Porwal, Vishal; Carof, Antoine; Ingrosso, Francesca | |
| Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors | 1-gen-2023 | Padula, Daniele; Landi, Alessandro; Prampolini, Giacomo |