| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020 | 376 | 2020 |
| 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 | 365 | 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 | 309 | 2005 |
| Lanthanide contraction and magnetism in the heavy rare earth elements ID Hughes, M Däne, A Ernst, W Hergert, M Lüders, J Poulter, JB Staunton, ... Nature 446 (7136), 650-653, 2007 | 269 | 2007 |
| 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 | 231 | 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 | 203 | 2006 |
| Self-interaction correction in multiple scattering theory M Lüders, A Ernst, M Däne, Z Szotek, A Svane, D Ködderitzsch, W Hergert, ... Physical Review B—Condensed Matter and Materials Physics 71 (20), 205109, 2005 | 169 | 2005 |
| Exchange coupling in transition metal monoxides: Electronic structure calculations G Fischer, M Däne, A Ernst, P Bruno, M Lüders, Z Szotek, W Temmerman, ... Physical Review B—Condensed Matter and Materials Physics 80 (1), 014408, 2009 | 153 | 2009 |
| Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ... npj computational materials 3 (1), 46, 2017 | 109 | 2017 |
| Ab initio angle-resolvedphotoemission in multiple-scattering formulation M Lüders, A Ernst, WM Temmerman, Z Szotek, PJ Durham Journal of Physics: Condensed Matter 13 (38), 8587, 2001 | 108 | 2001 |
| Structural phase transitions and fundamental band gaps of alloys from first principles IV Maznichenko, A Ernst, M Bouhassoune, J Henk, M Däne, M Lueders, ... Physical Review B—Condensed Matter and Materials Physics 80 (14), 144101, 2009 | 88 | 2009 |
| Local density approximation for superconductors S Kurth, M Marques, M Lüders, EKU Gross Physical review letters 83 (13), 2628, 1999 | 86 | 1999 |
| Self-interaction correction in multiple scattering theory: application to transition metaloxides M Daene, M Lueders, A Ernst, D Ködderitzsch, WM Temmerman, Z Szotek, ... Journal of physics: Condensed matter 21 (4), 045604, 2009 | 66 | 2009 |
| Theoretical study of magnetic layers of nickel on copper; dead or alive? A Ernst, M Lueders, WM Temmerman, Z Szotek, G Van der Laan Journal of Physics: Condensed matter 12 (26), 5599, 2000 | 63 | 2000 |
| 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 | 59 | 2006 |
| Onset of magnetic order in strongly-correlated systems from ab initio electronic structure calculations: application to transition metal oxides ID Hughes, M Däne, A Ernst, W Hergert, M Lüders, JB Staunton, Z Szotek, ... New Journal of Physics 10 (6), 063010, 2008 | 52 | 2008 |
| Coulomb couplings in positively charged fullerene M Lüders, A Bordoni, N Manini, AD Corso, M Fabrizio, E Tosatti Philosophical Magazine B 82 (15), 1611-1647, 2002 | 39 | 2002 |
| The CECAM electronic structure library and the modular software development paradigm MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ... The Journal of chemical physics 153 (2), 2020 | 36 | 2020 |
| Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals M Luders, M Mal, NN Lathiotakis, A Floris, G Profeta, L Fast, A Continenza, ... PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS 72 (2), 024545, 2005 | 36 | 2005 |
| Room-temperature -induced surface ferromagnetism: First-principles study G Fischer, N Sanchez, W Adeagbo, M Lüders, Z Szotek, WM Temmerman, ... Physical Review B—Condensed Matter and Materials Physics 84 (20), 205306, 2011 | 35 | 2011 |
