GIANNOZZI, PAOLO
GIANNOZZI, PAOLO
Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function
2021 La Penna, G; Tiana, D; Giannozzi, P
Quantum ESPRESSO toward the exascale
2020 Giannozzi, P.; Baseggio, O.; Bonfà, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S.
Density-functional perturbation theory for quasi-harmonic calculations
2018 Baroni, S; Giannozzi, P; Isaev, E
Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells by Phthalocyanines: a Joint Theoretical Experimental Investigation
2014 Giuseppe Mattioli; Sadok Ben Dkhil; Maria Ilenia Saba; Giuliano Malloci; Claudio Melis; Paola Alippi; Francesco Filippone; Paolo Giannozzi; Anil K Thakur; Meriem Gaceurd; Olivier Margeat; Abdou Karim Diallo; Christine VidelotAckermann; Jorg Ackermann; Aldo Amore Bonapasta;Alessandro Mattoni
Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations
2014 Mattioli, Giuseppe; Bonapasta Aldo, Amore; Bovi, Daniele; Giannozzi, Paolo
Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description
2013 Da Silva Antonio, M Jr; Dos Santos Helio, F; Giannozzi, Paolo
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst
2013 Mattioli, Giuseppe; Mattioli, Giuseppe; Giannozzi, Paolo; Giannozzi, Paolo; AMORE BONAPASTA, Aldo; Amore, Aldo; Guidonili, ; Leonardo,
The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: a DFT study
2013 Furlan, Sara; Giannozzi, Paolo
A Hybrid Zinc Phthalocyanine / Zinc Oxide System for Photovoltaic devices: a DFT and TD-DFPT Theoretical Investigation
2012 G. Mattioli; F. Filippone; P. Alippi; P. Giannozzi; A. Amore Bonapasta
Electron densities and related properties from the ab-initio simulation of crystalline solids
2012 Pisani, C; Dovesi, R; Erba, A; Giannozzi, P
Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells
2012 Mattioli, Giuseppe; Melis, Claudio; Malloci, Giuliano; Filippone, Francesco; Alippi, Paola; Giannozzi, Paolo; Mattoni, Alessandro; AMORE BONAPASTA, Aldo
Quantitative local environment characterization in amorphous oxides
2010 Amezaga, Alexis; Holmstroem, Erik; Lizarraga, Raquel; Menendezproupin, Eduardo; Bartoloperez, P; Giannozzi, Paolo
Gas adsorption on graphene doped with B, N, Al, S: a theoretical study
2009 Dai, J; Yuan, J; Giannozzi, P
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials
2009 P. Giannozzi; S. Baroni; N. Bonini; M. Calandra; R. Car; C. Cavazzoni; D. Ceresoli; G. L. Chiarotti; M. Cococcioni; I. Dabo; A. Dal Corso; S. Fabris; G. Fratesi; S. de Gironcoli; R. Gebauer; U. Gerstmann; C. Gougoussis; A. Kokalj; M. Lazzeri; L. MartinSamos; N. Marzari; F. Mauri; R. Mazzarello; S. Paolini; A. Pasquarello; L. Paulatto; C. Sbraccia; S. Scandolo; G. Sclauzero; A. P. Seitsonen; A. Smogunov; P. Umari; R. M. Wentzcovitch
Theoretical design of coupled organic-inorganic systems
2008 Mattioli, G ,; Filippone, F ; Giannozzi, P ; Caminiti, R ; Amore Bonapasta, A
Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors
2006 Giannozzi, P; Filippone, F; Bonapasta, Aa
Density-Functional Perturbation Theory
2005 Giannozzi, P; Baroni, S
First-principles codes for Computational Crystallography in the Quantum-ESPRESSO package
2005 Scandolo, S; Giannozzi, P; Cavazzoni, C; DE GIRONCOLI, STEFANO MARIA; Pasquarello, A; Baroni, S
Comment on "Noncovalent functionalization of carbon nanotubes by aromatic organic molecules'' [Appl. Phys. Lett. 82, 3746 (2003)]
2004 Giannozzi, P
First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems
2004 Giannozzi, P; DE ANGELIS, Filippo; Car, R
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function | 1-gen-2021 | La Penna, G; Tiana, D; Giannozzi, P | |
| Quantum ESPRESSO toward the exascale | 1-gen-2020 | Giannozzi, P.; Baseggio, O.; Bonfà, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S. | |
| Density-functional perturbation theory for quasi-harmonic calculations | 1-gen-2018 | Baroni, S; Giannozzi, P; Isaev, E | |
| Interfacial Engineering of P3HT/ZnO Hybrid Solar Cells by Phthalocyanines: a Joint Theoretical Experimental Investigation | 1-gen-2014 | Giuseppe Mattioli; Sadok Ben Dkhil; Maria Ilenia Saba; Giuliano Malloci; Claudio Melis; Paola Alippi; Francesco Filippone; Paolo Giannozzi; Anil K Thakur; Meriem Gaceurd; Olivier Margeat; Abdou Karim Diallo; Christine VidelotAckermann; Jorg Ackermann; Aldo Amore Bonapasta;Alessandro Mattoni | |
| Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations | 1-gen-2014 | Mattioli, Giuseppe; Bonapasta Aldo, Amore; Bovi, Daniele; Giannozzi, Paolo | |
| Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description | 1-gen-2013 | Da Silva Antonio, M Jr; Dos Santos Helio, F; Giannozzi, Paolo | |
| Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst | 1-gen-2013 | Mattioli, Giuseppe; Mattioli, Giuseppe; Giannozzi, Paolo; Giannozzi, Paolo; AMORE BONAPASTA, Aldo; Amore, Aldo; Guidonili, ; Leonardo, | |
| The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: a DFT study | 1-gen-2013 | Furlan, Sara; Giannozzi, Paolo | |
| A Hybrid Zinc Phthalocyanine / Zinc Oxide System for Photovoltaic devices: a DFT and TD-DFPT Theoretical Investigation | 1-gen-2012 | G. Mattioli; F. Filippone; P. Alippi; P. Giannozzi; A. Amore Bonapasta | |
| Electron densities and related properties from the ab-initio simulation of crystalline solids | 1-gen-2012 | Pisani, C; Dovesi, R; Erba, A; Giannozzi, P | |
| Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells | 1-gen-2012 | Mattioli, Giuseppe; Melis, Claudio; Malloci, Giuliano; Filippone, Francesco; Alippi, Paola; Giannozzi, Paolo; Mattoni, Alessandro; AMORE BONAPASTA, Aldo | |
| Quantitative local environment characterization in amorphous oxides | 1-gen-2010 | Amezaga, Alexis; Holmstroem, Erik; Lizarraga, Raquel; Menendezproupin, Eduardo; Bartoloperez, P; Giannozzi, Paolo | |
| Gas adsorption on graphene doped with B, N, Al, S: a theoretical study | 1-gen-2009 | Dai, J; Yuan, J; Giannozzi, P | |
| QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials | 1-gen-2009 | P. Giannozzi; S. Baroni; N. Bonini; M. Calandra; R. Car; C. Cavazzoni; D. Ceresoli; G. L. Chiarotti; M. Cococcioni; I. Dabo; A. Dal Corso; S. Fabris; G. Fratesi; S. de Gironcoli; R. Gebauer; U. Gerstmann; C. Gougoussis; A. Kokalj; M. Lazzeri; L. MartinSamos; N. Marzari; F. Mauri; R. Mazzarello; S. Paolini; A. Pasquarello; L. Paulatto; C. Sbraccia; S. Scandolo; G. Sclauzero; A. P. Seitsonen; A. Smogunov; P. Umari; R. M. Wentzcovitch | |
| Theoretical design of coupled organic-inorganic systems | 1-gen-2008 | Mattioli, G ,; Filippone, F ; Giannozzi, P ; Caminiti, R ; Amore Bonapasta, A | |
| Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors | 1-gen-2006 | Giannozzi, P; Filippone, F; Bonapasta, Aa | |
| Density-Functional Perturbation Theory | 1-gen-2005 | Giannozzi, P; Baroni, S | |
| First-principles codes for Computational Crystallography in the Quantum-ESPRESSO package | 1-gen-2005 | Scandolo, S; Giannozzi, P; Cavazzoni, C; DE GIRONCOLI, STEFANO MARIA; Pasquarello, A; Baroni, S | |
| Comment on "Noncovalent functionalization of carbon nanotubes by aromatic organic molecules'' [Appl. Phys. Lett. 82, 3746 (2003)] | 1-gen-2004 | Giannozzi, P | |
| First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems | 1-gen-2004 | Giannozzi, P; DE ANGELIS, Filippo; Car, R |