Suivre
Oscar Grånäs
Oscar Grånäs
Uppsala University
Adresse e-mail validée de physics.uu.se
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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
14242016
Multipole decomposition of energy and its application to actinide compounds
F Bultmark, F Cricchio, O Grånäs, L Nordström
Physical Review B—Condensed Matter and Materials Physics 80 (3), 035121, 2009
1422009
Exchange parameters of strongly correlated materials: Extraction from spin-polarized density functional theory plus dynamical mean-field theory
YO Kvashnin, O Grånäs, ID Marco, MI Katsnelson, AI Lichtenstein, ...
Phys. Rev. B 91, 125133, 2015
1372015
Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications
O Grånäs, ID Marco, P Thunström, L Nordström, O Eriksson, T Björkman, ...
Comput. Mater. Sci. 55, 295, 2012
1232012
Itinerant Magnetic Multipole Moments of Rank Five as the Hidden Order in
F Cricchio, F Bultmark, O Grånäs, L Nordström
Physical review letters 103 (10), 107202, 2009
1212009
The elk FP-LAPW code
K Dewhurst, S Sharma, L Nordstrom, F Cricchio, F Bultmark, O Grånäs, ...
ELK, http://elk.sourceforge. net, 2016
81*2016
Analytic continuation by averaging Pad\'e approximants
J Schött, ILM Locht, E Lundin, O Grånäs, O Eriksson, ID Marco
Physical Review B 93, 075104, 2016
802016
Real-time TD-DFT with classical ion dynamics: Methodology and applications
G Kolesov, O Grånäs, R Hoyt, D Vinichenko, E Kaxiras
Journal of Chemical Theory and Computation 12 (2), 466-476, 2016
722016
Establishing the limits of efficiency of perovskite solar cells from first principles modeling
O Grånäs, D Vinichenko, E Kaxiras
Scientific Reports 6, 36108, 2016
682016
L. Paula o, CJ Pickard, W. Poelmans, MIJ Probert, K. Refson, M. Richter, G
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
M. Rignanese, S. Saha, M. Sche ler, M. Schlipf, K. Schwarz, S. Sharma, F …, 2016
632016
Low spin moment due to hidden multipole order from spin-orbital ordering in LaFeAsO
F Cricchio, O Grånäs, L Nordström
Physical Review B—Condensed Matter and Materials Physics 81 (14), 140403, 2010
492010
Large magnetic anisotropy of FeP investigated via ab initio density functional theory calculations
M Costa, O Grånäs, A Bergman, P Venezuela, P Nordblad, M Klintenberg, ...
Physical Review B—Condensed Matter and Materials Physics 86 (8), 085125, 2012
342012
Inhomogeneity in Co doped ZnO diluted magnetic semiconductor
B Sanyal, R Knut, O Grånäs, DM Iuşan, O Karis, O Eriksson
Journal of Applied Physics 103 (7), 2008
332008
Ultrafast modification of the electronic structure of a correlated insulator
O Grånäs, I Vaskivskyi, X Wang, P Thunström, S Ghimire, R Knut, ...
Physical Review Research 4 (3), L032030, 2022
312022
Manipulation of Stacking Order in Td-WTe2 by Ultrafast Optical Excitation
S Ji, O Grånäs, J Weissenrieder
ACS nano 15 (5), 8826–8835, 2021
302021
Microscopic picture of Co clustering in ZnO
D Iuşan, M Kabir, O Grånäs, O Eriksson, B Sanyal
Physical Review B—Condensed Matter and Materials Physics 79 (12), 125202, 2009
282009
Electronic structure, cohesive properties, and magnetism of
O Grånäs, I Di Marco, O Eriksson, L Nordström, C Etz
Physical Review B 90 (16), 165130, 2014
272014
Adaptive smearing for Brillouin zone integration
T Björkman, O Grånäs
International Journal of Quantum Chemistry 111 (5), 1025-1030, 2011
272011
Data-driven studies of the magnetic anisotropy of two-dimensional magnetic materials
Y Xie, GA Tritsaris, O Grånäs, TD Rhone
The Journal of Physical Chemistry Letters 12, 12048-12054, 2021
232021
Protein orientation in time-dependent electric fields: orientation before destruction
A Sinelnikova, T Mandl, H Agelii, O Grånäs, EG Marklund, C Caleman, ...
Biophysical journal 120 (17), 3709-3717, 2021
232021
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