CNR Institutional Research Information System

GIANNOZZI, PAOLO

GIANNOZZI, PAOLO  

Istituto Officina dei Materiali - IOM -  

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Risultati 1 - 20 di 32 (tempo di esecuzione: 0.049 secondi).
Titolo Data di pubblicazione Autore(i) File
Lipase-catalysed esterification in a reactive natural deep eutectic solvent leads to lauroylcholine chloride rather than glucose ester 1-gen-2024 Buzatu, Alina Ramona; Soler, Miguel Angel; Ozkilinc, Ozge; Fortuna, Sara; Dreavă, Diana Maria; Bîtcan, Ioan; Giannozzi, Paolo; Fogolari, Federico; Gardossi, Lucia; Peter, Francisc; Todea, Anamaria; Boeriu, Carmen Gabriela
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP 1-gen-2024 Ruffino, Fabrizio Ferrari; Bellentani, Laura; Rossi, Giacomo; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Delugas, Pietro; Giannozzi, Paolo; Kurzak, Jakub; Luo, Ye; O'Reilly, Ossian; Orlandini, Sergio; Carnimeo, Ivan
Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols 1-gen-2024 Buzatu, Alina Ramona; Soler, Miguel Angel; Fortuna, Sara; Ozkilinc, Ozge; Dreavă, Diana Maria; Bîtcan, Ioan; Badea, Valentin; Giannozzi, Paolo; Fogolari, Federico; Gardossi, Lucia; Peter, Francisc; Todea, Anamaria; Boeriu, Carmen Gabriela
D1.2 First release of MAX software: report on performed and planned refactoring 1-gen-2023 Wortmann, Daniel; Affinito, Fabio; Baroni, Stefano; Bellentani, Laura; Baseggio, Oscar; Carnimeo, Ivan; Delugas, Pietro; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Giannozzi, Paolo; Genovese, Luigi; Orlandini, Sergio; Sangalli, Davide; Spallanzani, Nicola; Varsano, Daniele
Quantum ESPRESSO: One Further Step toward the Exascale 1-gen-2023 Carnimeo, Ivan; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Bellentani, Laura; Bertossa, Riccardo; Delugas, Pietro Davide; Ruffino, Fabrizio Ferrari; Orlandini, Sergio; Spiga, Filippo; Giannozzi, Paolo
D1.5 Third release of MAX software: Final report on restructuring, exascale readiness and inter-code libraries 1-gen-2022 Baroni, Stefano; Carnimeo, Ivan; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Daniel Wortmann, And
D2.3 Third release of MAX software: Report on the release of documentation of the performance optimised parts 1-gen-2022 Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola
Engineering of metal-MoS2 contacts to overcome Fermi level pinning 1-gen-2022 Khakbaz, P.; Driussi, F.; Giannozzi, P.; Gambi, A.; Lizzit, D.; Esseni, D.
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
Simulation study of Fermi level depinning in metal-MoS2 contacts 1-gen-2021 Khakbaz, P.; Driussi, F.; Giannozzi, P.; Gambi, A.; Esseni, D.
D1.4 Second release of MAX software: Report on first common APIs, data structures and domain-specific libraries 1-gen-2020 Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Marini, Andrea; Sangalli, Davide; Varsano, Daniele; FERRARI RUFFINO, Fabrizio; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Marri, Ivan; Spallanzani, Nicola; Wortmann, Daniel
D2.2 Second release of MAX software: Report on performance achieved 1-gen-2020 Wortmann, Daniel; Baroni, Stefano; Degomme, Augustin; Delugas, Pietro; DE GIRONCOLI, STEFANO MARIA; Ferretti, Andrea; Garcia, Alberto; Genovese, Luigi; Giannozzi, Paolo; Kozhevnikov, Anton; Spallanzani, Nicola
Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach 1-gen-2020 Hosseini, Mohammadreza; Vanpoucke, Danny E. P.; Giannozzi, Paolo; Berahman, Masoud; Hadipour, Nasser
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; Giannozzi, Paolo; AMORE BONAPASTA, Aldo; Guidonili, Leonardo
The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: a DFT study 1-gen-2013 Furlan, Sara; Giannozzi, Paolo