| 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 | 1112 | 2016 |
| Error estimates for solid-state density-functional theory predictions: an overview by means of the ground-state elemental crystals K Lejaeghere, V Van Speybroeck, G Van Oost, S Cottenier Critical reviews in solid state and materials sciences 39 (1), 1-24, 2014 | 565 | 2014 |
| Density Functional Theory and the family of (L) APW-methods: a step-by-step introduction S Cottenier Instituut voor Kern-en Stralingsfysica, KU Leuven, Belgium 4 (0), 41, 2002 | 531 | 2002 |
| Mj vansetten, v. van speybroeck, jm wills, jr yates, gx zhang, s. cottenier, reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ... Science 351, 1415ŰU1481, 2016 | 492* | 2016 |
| The ABINIT project: Impact, environment and recent developments X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ... Computer Physics Communications 248, 107042, 2020 | 485 | 2020 |
| Electronic structure of transparent oxides with the Tran–Blaha modified Becke–Johnson potential H Dixit, R Saniz, S Cottenier, D Lamoen, B Partoens Journal of Physics: Condensed Matter 24 (20), 205503, 2012 | 144 | 2012 |
| Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4 and ZnIn2O4 H Dixit, N Tandon, S Cottenier, R Saniz, D Lamoen, B Partoens, ... New Journal of Physics 13 (6), 063002, 2011 | 140 | 2011 |
| Error estimates for density-functional theory predictions of surface energy and work function S De Waele, K Lejaeghere, M Sluydts, S Cottenier Physical Review B 94 (23), 235418, 2016 | 132 | 2016 |
| Aliovalent doping of CeO 2: DFT study of oxidation state and vacancy effects DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ... Journal of Materials Chemistry A 2 (33), 13723-13737, 2014 | 105 | 2014 |
| What density-functional theory can tell us about the spin-density wave in Cr S Cottenier, B De Vries, J Meersschaut, M Rots Journal of Physics: Condensed Matter 14 (12), 3275, 2002 | 93 | 2002 |
| A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths K Hakim, A Rivoldini, T Van Hoolst, S Cottenier, J Jaeken, T Chust, ... Icarus 313, 61-78, 2018 | 90 | 2018 |
| Solving the Christoffel equation: Phase and group velocities JW Jaeken, S Cottenier Computer Physics Communications 207, 445-451, 2016 | 86 | 2016 |
| The magnetization of γ′‐Fe4N: theory vs. experiment ELP Blancá, J Desimoni, NE Christensen, H Emmerich, S Cottenier physica status solidi (b) 246 (5), 909-928, 2009 | 77 | 2009 |
| Controlling the size of hot injection made nanocrystals by manipulating the diffusion coefficient of the solute K De Nolf, RK Capek, S Abe, M Sluydts, Y Jang, JC Martins, S Cottenier, ... Journal of the American Chemical Society 137 (7), 2495-2505, 2015 | 68 | 2015 |
| Valency of rare earths in and Ab initio analysis of electric-field gradients SJ Asadabadi, S Cottenier, H Akbarzadeh, R Saki, M Rots Physical Review B 66 (19), 195103, 2002 | 65 | 2002 |
| First-principles study of possible shallow donors in ZnAlO spinel H Dixit, N Tandon, S Cottenier, R Saniz, D Lamoen, B Partoens Physical Review B 87 (17), 174101, 2013 | 62 | 2013 |
| Temperature dependence of the electric-field gradient in hcp-Cd from first principles D Torumba, K Parlinski, M Rots, S Cottenier Physical Review B 74 (14), 144304, 2006 | 52 | 2006 |
| Multi-method identification and characterization of the intermetallic surface layers of hot-dip Al-coated steel: FeAl3 or Fe4Al13 and Fe2Al5 or Fe2Al5+ x A Van Alboom, B Lemmens, B Breitbach, E De Grave, S Cottenier, ... Surface and Coatings Technology 324, 419-428, 2017 | 50 | 2017 |
| Density functional theory study of LaCeO: Disordered fluorite versus pyrochlore structure DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ... Physical Review B 84 (5), 054110, 2011 | 50 | 2011 |
| Reactivity of CO on carbon-covered cobalt surfaces in Fischer–Tropsch synthesis L Joos, IAW Filot, S Cottenier, EJM Hensen, M Waroquier, ... The Journal of Physical Chemistry C 118 (10), 5317-5327, 2014 | 49 | 2014 |
