RONCA, ENRICO
RONCA, ENRICO
Istituto per i Processi Chimico-Fisici - IPCF
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
2022 Sidler, Dominik; Ruggenthaler, Michael; Schäfer, Christian; Ronca, Enrico; Rubio, Angel
Molecular orbital theory in cavity QED environments
2022 Riso R.R.; Haugland T.S.; Ronca E.; Koch H.
On the characteristic features of ionization in QED environments
2022 Riso, Rosario R.; Haugland, Tor S.; Ronca, Enrico; Koch, Henrik
Intermolecular interactions in optical cavities: An ab initio QED study
2021 Haugland Tor, S; Schäfer, Christian; Ronca, Enrico; Rubio, Angel; Koch, Henrik
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
2020 Haugland Tor, S; Ronca, Enrico; Kjonstad Eirik, F; Rubio, Angel; Koch, Henrik
Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases
2020 Motta, Mario; Genovese, Claudio; Ma, Fengjie; Cui, Zhihao; Sawaya, Randy; Chan Garnet, Kinlic; Chepiga, Natalia; Helms, Phillip; Jimenezhoyos, Carlos; Millis Andrew, J; Ray, Ushnish; Ronca, Enrico; Shi, Hao; Sorella, Sandro; Stoudenmire Edwin, M; White Steven, R; Zhang, Shiwei
Recent developments in the PySCF program package
2020 Sun;Qiming;Zhang;Xing;Banerjee;Samragni;Bao;Peng;Barbry;Marc;Blunt;Nick S.;Bogdanov;Nikolay A.;Booth;George H.;Chen;Jia;Cui;ZhiHao;Eriksen;Janus J.;Gao;Yang;Guo;Sheng;Hermann;Jan;Hermes;Matthew R.;Koh;Kevin;Koval;Peter;Lehtola;Susi;Li;Zhendong;Liu;Junzi;Mardirossian;Narbe;McClain;James D.;Motta;Mario;Mussard;Bastien;Pham;Hung Q.;Pulkin;Artem;Purwanto;Wirawan;Robinson;Paul J.;Ronca;Enrico;Sayfutyarova;Elvira R.;Scheurer;Maximilian;Schurkus;Henry F.;Smith;James E. T.;Sun;Chong;Sun;ShiNing;Upadhyay;Shiv;Wagner;Lucas K.;Wang;Xiao;White;Alec;Whitfield;James Daniel;Williamson;Mark J.;Wouters;Sebastian;Yang;Jun;Yu;Jason M.;Zhu;Tianyu;Berkelbach;Timothy C.;Sharma;Sandeep;Sokolov;Alexander Yu.;Chan;Garnet KinLic
Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting
2014 Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin Md, K; Graetzel, Michael; DE ANGELIS, Filippo
Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
2014 Ronca, Enrico; Angeli, Celestino; Belpassi, Leonardo; DE ANGELIS, Filippo; Tarantelli, Francesco; Pastore, Mariachiara
First-principles investigation of the TiO2/organohalide perovskites interface: The role of interfacial chlorine
2014 Mosconi E.; Ronca E.; De Angelis F.
Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells
2014 Fantacci, Simona; Ronca, Enrico; DE ANGELIS, Filippo
Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers
2014 Ronca, E; De Angelis, F; Fantacci, S
High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells
2013 Moehl, Thomas; Tsao Hoi, Nok; Wu, Kuanlin; Hsu, Huichu; Chi, Yun; Ronca, Enrico; DE ANGELIS, Filippo; Nazeeruddin Mohammad, K; Graetzel, Michael
Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects
2013 Ronca, Enrico; Pastore, Mariachiara; Belpassi, Leonardo; Tarantelli, Francesco; DE ANGELIS, Filippo
Inherent electronic trap states in TiO2 nanocrystals: effect of saturation and sintering
2013 Nunzi, Francesca; Mosconi, Edoardo; Storchi, Loriano; Ronca, Enrico; Selloni, Annabella; Graetzel, Michael; DE ANGELIS, Filippo
Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment
2012 Chiara Anselmi ; Edoardo Mosconi ; Mariachiara Pastore ; Enrico Ronca ; Filippo De Angelis
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity | 1-gen-2022 | Sidler, Dominik; Ruggenthaler, Michael; Schäfer, Christian; Ronca, Enrico; Rubio, Angel | |
| Molecular orbital theory in cavity QED environments | 1-gen-2022 | Riso R.R.; Haugland T.S.; Ronca E.; Koch H. | |
| On the characteristic features of ionization in QED environments | 1-gen-2022 | Riso, Rosario R.; Haugland, Tor S.; Ronca, Enrico; Koch, Henrik | |
| Intermolecular interactions in optical cavities: An ab initio QED study | 1-gen-2021 | Haugland Tor, S; Schäfer, Christian; Ronca, Enrico; Rubio, Angel; Koch, Henrik | |
| Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States | 1-gen-2020 | Haugland Tor, S; Ronca, Enrico; Kjonstad Eirik, F; Rubio, Angel; Koch, Henrik | |
| Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases | 1-gen-2020 | Motta, Mario; Genovese, Claudio; Ma, Fengjie; Cui, Zhihao; Sawaya, Randy; Chan Garnet, Kinlic; Chepiga, Natalia; Helms, Phillip; Jimenezhoyos, Carlos; Millis Andrew, J; Ray, Ushnish; Ronca, Enrico; Shi, Hao; Sorella, Sandro; Stoudenmire Edwin, M; White Steven, R; Zhang, Shiwei | |
| Recent developments in the PySCF program package | 1-gen-2020 | Sun;Qiming;Zhang;Xing;Banerjee;Samragni;Bao;Peng;Barbry;Marc;Blunt;Nick S.;Bogdanov;Nikolay A.;Booth;George H.;Chen;Jia;Cui;ZhiHao;Eriksen;Janus J.;Gao;Yang;Guo;Sheng;Hermann;Jan;Hermes;Matthew R.;Koh;Kevin;Koval;Peter;Lehtola;Susi;Li;Zhendong;Liu;Junzi;Mardirossian;Narbe;McClain;James D.;Motta;Mario;Mussard;Bastien;Pham;Hung Q.;Pulkin;Artem;Purwanto;Wirawan;Robinson;Paul J.;Ronca;Enrico;Sayfutyarova;Elvira R.;Scheurer;Maximilian;Schurkus;Henry F.;Smith;James E. T.;Sun;Chong;Sun;ShiNing;Upadhyay;Shiv;Wagner;Lucas K.;Wang;Xiao;White;Alec;Whitfield;James Daniel;Williamson;Mark J.;Wouters;Sebastian;Yang;Jun;Yu;Jason M.;Zhu;Tianyu;Berkelbach;Timothy C.;Sharma;Sandeep;Sokolov;Alexander Yu.;Chan;Garnet KinLic | |
| Cation-Induced Band-Gap Tuning in Organohalide Perovskites: Interplay of Spin-Orbit Coupling and Octahedra Tilting | 1-gen-2014 | Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin Md, K; Graetzel, Michael; DE ANGELIS, Filippo | |
| Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States | 1-gen-2014 | Ronca, Enrico; Angeli, Celestino; Belpassi, Leonardo; DE ANGELIS, Filippo; Tarantelli, Francesco; Pastore, Mariachiara | |
| First-principles investigation of the TiO2/organohalide perovskites interface: The role of interfacial chlorine | 1-gen-2014 | Mosconi E.; Ronca E.; De Angelis F. | |
| Impact of Spin-Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells | 1-gen-2014 | Fantacci, Simona; Ronca, Enrico; DE ANGELIS, Filippo | |
| Time-dependent density functional theory modeling of spin-orbit coupling in ruthenium and osmium solar cell sensitizers | 1-gen-2014 | Ronca, E; De Angelis, F; Fantacci, S | |
| High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells | 1-gen-2013 | Moehl, Thomas; Tsao Hoi, Nok; Wu, Kuanlin; Hsu, Huichu; Chi, Yun; Ronca, Enrico; DE ANGELIS, Filippo; Nazeeruddin Mohammad, K; Graetzel, Michael | |
| Influence of the dye molecular structure on the TiO2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects | 1-gen-2013 | Ronca, Enrico; Pastore, Mariachiara; Belpassi, Leonardo; Tarantelli, Francesco; DE ANGELIS, Filippo | |
| Inherent electronic trap states in TiO2 nanocrystals: effect of saturation and sintering | 1-gen-2013 | Nunzi, Francesca; Mosconi, Edoardo; Storchi, Loriano; Ronca, Enrico; Selloni, Annabella; Graetzel, Michael; DE ANGELIS, Filippo | |
| Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment | 1-gen-2012 | Chiara Anselmi ; Edoardo Mosconi ; Mariachiara Pastore ; Enrico Ronca ; Filippo De Angelis |