Quantum origin of the oxygen storage capability of ceria NV Skorodumova, SI Simak, BI Lundqvist, IA Abrikosov, B Johansson Physical Review Letters 89 (16), 166601, 2002 | 862 | 2002 |
Optimization of ionic conductivity in doped ceria DA Andersson, SI Simak, NV Skorodumova, IA Abrikosov, B Johansson Proceedings of the National Academy of Sciences 103 (10), 3518-3521, 2006 | 596 | 2006 |
Electronic, bonding, and optical properties of and from first principles NV Skorodumova, R Ahuja, SI Simak, IA Abrikosov, B Johansson, ... Physical Review B 64 (11), 115108, 2001 | 486 | 2001 |
Modeling of , , and in the formalism DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova Physical Review B 75 (3), 035109, 2007 | 426 | 2007 |
Surface properties of from first principles NV Skorodumova, M Baudin, K Hermansson Physical Review B 69 (7), 075401, 2004 | 378 | 2004 |
Melting and critical superheating AB Belonoshko, NV Skorodumova, A Rosengren, B Johansson Physical Review B 73 (1), 012201, 2006 | 247 | 2006 |
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions M Amft, S Lebègue, O Eriksson, NV Skorodumova Journal of Physics: Condensed Matter 23 (39), 395001, 2011 | 205 | 2011 |
Elastic anisotropy of Earth's inner core AB Belonoshko, NV Skorodumova, A Rosengren, B Johansson Science 319 (5864), 797-800, 2008 | 118 | 2008 |
Redox properties of CeO2–MO2 (M= Ti, Zr, Hf, or Th) solid solutions from first principles calculations DA Andersson, SI Simak, NV Skorodumova, IA Abrikosov, B Johansson Applied physics letters 90 (3), 2007 | 108 | 2007 |
KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations M Leetmaa, NV Skorodumova Computer Physics Communications 185 (9), 2340-2349, 2014 | 100 | 2014 |
Atomic adsorption on graphene with a single vacancy: systematic DFT study through the periodic table of elements IA Pašti, A Jovanović, AS Dobrota, SV Mentus, B Johansson, ... Physical Chemistry Chemical Physics 20 (2), 858-865, 2018 | 96 | 2018 |
Stability of gold nanowires at large Au-Au separations NV Skorodumova, SI Simak Physical Review B 67 (12), 121404, 2003 | 94 | 2003 |
Origin of the low rigidity of the Earth's inner core AB Belonoshko, NV Skorodumova, S Davis, AN Osiptsov, A Rosengren, ... science 316 (5831), 1603-1605, 2007 | 84 | 2007 |
Impact of magnetism on Fe under Earth's core conditions AV Ruban, AB Belonoshko, NV Skorodumova Physical Review B 87 (1), 014405, 2013 | 79 | 2013 |
Structural and electronic properties of the (100) surface and bulk of alkaline-earth metal oxides NV Skorodumova, K Hermansson, B Johansson Physical Review B 72 (12), 125414, 2005 | 79 | 2005 |
Theoretical study of linear monoatomic nanowires, dimer and bulk of Cu, Ag, Au, Ni, Pd and Pt EY Zarechnaya, NV Skorodumova, SI Simak, B Johansson, EI Isaev Computational materials science 43 (3), 522-530, 2008 | 78 | 2008 |
The impact of the structure of graphene-based materials on the removal of organophosphorus pesticides from water T Lazarević-Pašti, V Anićijević, M Baljozović, DV Anićijević, S Gutić, ... Environmental Science: Nano 5 (6), 1482-1494, 2018 | 77 | 2018 |
Small gold clusters on graphene, their mobility and clustering: a DFT study M Amft, B Sanyal, O Eriksson, NV Skorodumova Journal of Physics: Condensed Matter 23 (20), 205301, 2011 | 77 | 2011 |
Atomic adsorption on pristine graphene along the Periodic Table of Elements–From PBE to non-local functionals IA Pašti, A Jovanović, AS Dobrota, SV Mentus, B Johansson, ... Applied Surface Science 436, 433-440, 2018 | 76 | 2018 |
Stabilization of the tetragonal distortion of FeCo alloys by C impurities: A potential new permanent magnet EK Delczeg-Czirjak, A Edström, M Werwiński, J Rusz, NV Skorodumova, ... Physical Review B 89 (14), 144403, 2014 | 73 | 2014 |