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
859 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
593 2006 Electronic, bonding, and optical properties of NV Skorodumova, R Ahuja, SI Simak, IA Abrikosov, B Johansson, ...
Physical Review B 64 (11), 115108, 2001
486 2001 Modeling of DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova
Physical Review B 75 (3), 035109, 2007
425 2007 Surface properties of NV Skorodumova, M Baudin, K Hermansson
Physical Review B 69 (7), 075401, 2004
376 2004 Melting and critical superheating AB Belonoshko, NV Skorodumova, A Rosengren, B Johansson
Physical Review B 73 (1), 012201, 2006
244 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
116 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
107 2007 KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations M Leetmaa, NV Skorodumova
Computer Physics Communications 185 (9), 2340-2349, 2014
99 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
95 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
83 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 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
76 2011 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
74 2018 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
72 2018 Stabilization of the tetragonal distortion of Fe EK Delczeg-Czirjak, A Edström, M Werwiński, J Rusz, NV Skorodumova, ...
Physical Review B 89 (14), 144403, 2014
72 2014 