Articles with public access mandates - Paolo GiannozziLearn more
Not available anywhere: 1
Interfacial engineering of p3ht/zno hybrid solar cells using phthalocyanines: a joint theoretical and experimental investigation
G Mattioli, SB Dkhil, MI Saba, G Malloci, C Melis, P Alippi, F Filippone, ...
Advanced Energy Materials 4 (12), 1301694, 2014
Mandates: Government of Italy
Available somewhere: 22
Advanced capabilities for materials modelling with Quantum ESPRESSO
P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Quantum ESPRESSO toward the exascale
P Giannozzi, O Baseggio, P Bonfà, D Brunato, R Car, I Carnimeo, ...
The Journal of chemical physics 152 (15), 2020
Mandates: Swiss National Science Foundation, US National Institutes of Health
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Density-functional perturbation theory for quasi-harmonic calculations
S Baroni, P Giannozzi, E Isaev
Reviews in Mineralogy and Geochemistry 71 (1), 39-57, 2010
Mandates: Swedish Research Council
Reaction pathways for oxygen evolution promoted by cobalt catalyst
G Mattioli, P Giannozzi, A Amore Bonapasta, L Guidoni
Journal of the American Chemical Society 135 (41), 15353-15363, 2013
Mandates: Government of Italy
Quantum crystallography: Current developments and future perspectives
A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ...
Chemistry–A European Journal 24 (43), 10881-10905, 2018
Mandates: Swiss National Science Foundation, Australian Research Council, Natural …
Roadmap on electronic structure codes in the exascale era
V Gavini, S Baroni, V Blum, DR Bowler, A Buccheri, JR Chelikowsky, ...
Modelling and Simulation in Materials Science and Engineering 31 (6), 063301, 2023
Mandates: US Department of Energy, US Department of Defense, Department of Science …
Quantum ESPRESSO: One Further Step toward the Exascale
I Carnimeo, F Affinito, S Baroni, O Baseggio, L Bellentani, R Bertossa, ...
Journal of Chemical Theory and Computation 19 (20), 6992-7006, 2023
Mandates: European Commission, Government of Italy
Fast hybrid density-functional computations using plane-wave basis sets
I Carnimeo, S Baroni, P Giannozzi
Electronic Structure 1 (1), 015009, 2019
Mandates: Government of Italy
Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations
G Mattioli, A Amore Bonapasta, D Bovi, P Giannozzi
The Journal of Physical Chemistry C 118 (51), 29928-29942, 2014
Mandates: Government of Italy
Unit cell restricted Bloch functions basis for first-principle transport models: Theory and application
MG Pala, P Giannozzi, D Esseni
Physical Review B 102 (4), 045410, 2020
Mandates: European Commission
A performance study of Quantum ESPRESSO’s PWscf code on multi-core and GPU systems
J Romero, E Phillips, G Ruetsch, M Fatica, F Spiga, P Giannozzi
High Performance Computing Systems. Performance Modeling, Benchmarking, and …, 2018
Mandates: US Department of Energy, UK Engineering and Physical Sciences Research …
Improved understanding of metal–graphene contacts
F Driussi, S Venica, A Gahoi, A Gambi, P Giannozzi, S Kataria, ...
Microelectronic Engineering 216, 111035, 2019
Mandates: German Research Foundation, European Commission
Engineering of metal-MoS2 contacts to overcome Fermi level pinning
P Khakbaz, F Driussi, P Giannozzi, A Gambi, D Lizzit, D Esseni
Solid-State Electronics 194, 108378, 2022
Mandates: Government of Italy
Simulation study of Fermi level depinning in metal-MoS2 contacts
P Khakbaz, F Driussi, P Giannozzi, A Gambi, D Esseni
Solid-State Electronics 184, 108039, 2021
Mandates: Government of Italy
Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47 (Mn): a first principles approach
M Hosseini, DEP Vanpoucke, P Giannozzi, M Berahman, N Hadipour
RSC advances 10 (8), 4786-4794, 2020
Mandates: Research Foundation (Flanders)
DFT study of graphene doping due to metal contacts
P Khakbaz, F Driussi, A Gambi, P Giannozzi, S Venica, D Esseni, A Gaho, ...
2019 International Conference on Simulation of Semiconductor Processes and …, 2019
Mandates: German Research Foundation, European Commission
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
V Blum, R Asahi, J Autschbach, C Bannwarth, G Bihlmayer, S Blügel, ...
Electronic Structure, 2024
Mandates: Academy of Finland, European Commission
Molecular electrostatics and pKa shifts calculations with the Generalized Born model. A tutorial through examples with Bluues2
MA Soler, O Ozkilinc, Y Hunashal, P Giannozzi, G Esposito, F Fogolari
Computer Physics Communications 287, 108716, 2023
Mandates: Government of Italy
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