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Physical Review B—Condensed Matter and Materials Physics 72 (2), 024545, 2005
381 2005 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
365 2020 Ab initio theory of superconductivity. II. Application to elemental metalsMAL Marques, M Lüders, NN Lathiotakis, G Profeta, A Floris, L Fast, ...
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292 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
235 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
201 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, ...
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152 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-resolved photoemission 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 IV Maznichenko, A Ernst, M Bouhassoune, J Henk, M Däne, M Lueders, ...
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88 2009 Local density approximation for superconductors S Kurth, M Marques, M Lüders, EKU Gross
Physical review letters 83 (13), 2628, 1999
82 1999 Self-interaction correction in multiple scattering theory: application to transition metal oxides M Daene, M Lueders, A Ernst, D Ködderitzsch, WM Temmerman, Z Szotek, ...
Journal of physics: Condensed matter 21 (4), 045604, 2009
64 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 potassiumA 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 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
53 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 Rare-earth pnictides and chalcogenides from first-principles L Petit, Z Szotek, M Lüders, A Svane
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38 2016 Room-temperature G Fischer, N Sanchez, W Adeagbo, M Lüders, Z Szotek, WM Temmerman, ...
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37 2011 Density‐functional theory of the superconducting state EKU Gross, S Kurth
International Journal of Quantum Chemistry 40 (S25), 289-297, 1991
33 1991 