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Natalia Skorodumova
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Year
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
8612002
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
5962006
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
4862001
Modeling of , , and in the formalism
DA Andersson, SI Simak, B Johansson, IA Abrikosov, NV Skorodumova
Physical Review B 75 (3), 035109, 2007
4262007
Surface properties of from first principles
NV Skorodumova, M Baudin, K Hermansson
Physical Review B 69 (7), 075401, 2004
3782004
Melting and critical superheating
AB Belonoshko, NV Skorodumova, A Rosengren, B Johansson
Physical Review B 73 (1), 012201, 2006
2472006
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
2052011
Elastic anisotropy of Earth's inner core
AB Belonoshko, NV Skorodumova, A Rosengren, B Johansson
Science 319 (5864), 797-800, 2008
1182008
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
1082007
KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations
M Leetmaa, NV Skorodumova
Computer Physics Communications 185 (9), 2340-2349, 2014
1002014
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
962018
Stability of gold nanowires at large Au-Au separations
NV Skorodumova, SI Simak
Physical Review B 67 (12), 121404, 2003
942003
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
842007
Impact of magnetism on Fe under Earth's core conditions
AV Ruban, AB Belonoshko, NV Skorodumova
Physical Review B 87 (1), 014405, 2013
792013
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
792005
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
782008
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
772011
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
762018
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
762018
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
732014
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