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 | 7104 | 2017 |
Hubbard‐corrected DFT energy functionals: The LDA+ U description of correlated systems B Himmetoglu, A Floris, S De Gironcoli, M Cococcioni International Journal of Quantum Chemistry 114 (1), 14-49, 2014 | 813 | 2014 |
Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals M Lüders, MAL Marques, NN Lathiotakis, A Floris, G Profeta, L Fast, ... Physical Review B—Condensed Matter and Materials Physics 72 (2), 024545, 2005 | 364 | 2005 |
Ab initio theory of superconductivity. II. Application to elemental metals MAL Marques, M Lüders, NN Lathiotakis, G Profeta, A Floris, L Fast, ... Physical Review B—Condensed Matter and Materials Physics 72 (2), 024546, 2005 | 281 | 2005 |
Ab Initio Description of High-Temperature Superconductivity in Dense Molecular Hydrogen P Cudazzo, G Profeta, A Sanna, A Floris, A Continenza, S Massidda, ... Physical Review Letters 100 (25), 257001, 2008 | 272 | 2008 |
Superconducting properties of MgB2 from first principles A Floris, A Sanna, M Lüders, G Profeta, NN Lathiotakis, MAL Marques, ... Physica C: Superconductivity 456 (1-2), 45-53, 2007 | 228 | 2007 |
Superconductivity in Lithium, Potassium, and Aluminum under Extreme Pressure:<? format?> A First-Principles Study G Profeta, C Franchini, NN Lathiotakis, A Floris, A Sanna, MAL Marques, ... Physical review letters 96 (4), 047003, 2006 | 198 | 2006 |
Anisotropic gap of superconducting : A first-principles density functional calculation A Sanna, G Profeta, A Floris, A Marini, EKU Gross, S Massidda Physical Review B—Condensed Matter and Materials Physics 75 (2), 020511, 2007 | 133 | 2007 |
Two-band superconductivity in Pb from ab initio calculations A Floris, A Sanna, S Massidda, EKU Gross Physical Review B—Condensed Matter and Materials Physics 75 (5), 054508, 2007 | 117 | 2007 |
Exact conditions in finite-temperature density-functional theory S Pittalis, CR Proetto, A Floris, A Sanna, C Bersier, K Burke, EKU Gross Physical review letters 107 (16), 163001, 2011 | 116 | 2011 |
Stereoselectivity and electrostatics in charge-transfer Mn- and Cs-TCNQ4 networks on Ag(100) N Abdurakhmanova, A Floris, TC Tseng, A Comisso, S Stepanow, ... Nature Communications 3 (1), 940, 2012 | 108 | 2012 |
Vibrational properties of MnO and NiO from DFT -based density functional perturbation theory A Floris, S de Gironcoli, EKU Gross, M Cococcioni Physical Review B—Condensed Matter and Materials Physics 84 (16), 161102, 2011 | 103 | 2011 |
Thermostatic properties of nitrate molten salts and their solar and eutectic mixtures B D’Aguanno, M Karthik, AN Grace, A Floris Scientific reports 8 (1), 1-15, 2018 | 100 | 2018 |
Electron-phonon interaction and superconductivity in metallic molecular hydrogen. II. Superconductivity under pressure P Cudazzo, G Profeta, A Sanna, A Floris, A Continenza, S Massidda, ... Physical Review B—Condensed Matter and Materials Physics 81 (13), 134506, 2010 | 78 | 2010 |
Thermoelasticity of Fe2+‐bearing bridgmanite G Shukla, Z Wu, H Hsu, A Floris, M Cococcioni, RM Wentzcovitch Geophysical Research Letters 42 (6), 1741-1749, 2015 | 75 | 2015 |
Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials A Floris, I Timrov, B Himmetoglu, N Marzari, S de Gironcoli, M Cococcioni Physical Review B 101 (6), 064305, 2020 | 62 | 2020 |
Electron-phonon interaction and superconductivity in metallic molecular hydrogen. I. Electronic and dynamical properties under pressure P Cudazzo, G Profeta, A Sanna, A Floris, A Continenza, S Massidda, ... Physical Review B—Condensed Matter and Materials Physics 81 (13), 134505, 2010 | 60 | 2010 |
Ab initio prediction of pressure-induced superconductivity in potassium A Sanna, C Franchini, A Floris, G Profeta, NN Lathiotakis, M Lüders, ... Physical Review B—Condensed Matter and Materials Physics 73 (14), 144512, 2006 | 60 | 2006 |
Electronic, vibrational, and superconducting properties of : First-principles calculations C Bersier, A Floris, A Sanna, G Profeta, A Continenza, EKU Gross, ... Physical Review B—Condensed Matter and Materials Physics 79 (10), 104503, 2009 | 51 | 2009 |
Reduced partition function ratios of iron and oxygen in goethite M Blanchard, N Dauphas, MY Hu, M Roskosz, EE Alp, DC Golden, CK Sio, ... Geochimica et Cosmochimica Acta 151, 19-33, 2015 | 43 | 2015 |