Oscar Grånäs

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Olle ErikssonVerified email at physics.uu.se
Lars NordströmMaterials theory, Uppsala UniversityVerified email at fysik.uu.se
Igor Di MarcoAsia-Pacific Center for Theoretical PhysicsVerified email at physics.uu.se
Biplab SanyalAssociate Professor, Department of Physics and Astronomy, Uppsala UniversityVerified email at physics.uu.se
Efthimios KaxirasProfessor of Pysics and Applied Physics, Harvard UniversityVerified email at physics.harvard.edu
Torbjörn BjörkmanÅbo Akademi University, Physics/Faculty of Natural Science and EngineeringVerified email at abo.fi
Mikhail KatsnelsonProfessor of Theoretical Physics, Radboud University NijmegenVerified email at science.ru.nl
Grigory KolesovCorning IncorporatedVerified email at corning.com
Patrik ThunströmResearcher, Uppsala UniversityVerified email at physics.uu.se
Jonas WeissenriederMaterials and Nano Physics, Royal Institute of Technology (KTH), Kista, SwedenVerified email at kth.se
Alexander LichtensteinProfessor, University of HamburgVerified email at physnet.uni-hamburg.de
Yaroslav KvashninDepartment of Physics and Astronomy, Uppsala UniversityVerified email at physics.uu.se
Per NordbladUppsala UniversityVerified email at angstrom.uu.se
Anders BergmanAssociate Professor, Uppsala UniversityVerified email at physics.uu.se
Pedro VenezuelaUniversidade Federal FluminenseVerified email at if.uff.br
Johan SchöttOrexplore, SwedenVerified email at orexplore.com
Corina EtzLuleå Technical UniversityVerified email at ltu.se
Mukul KabirAssociate Professor, Indian Institute of Science Education and Research, PuneVerified email at iiserpune.ac.in
Sam ShallcrossUniversity of Erlangen-NurnbergVerified email at tfkp.physik.uni-erlangen.de
Jonas FranssonUppsala universityVerified email at physics.uu.se

Oscar Grånäs

Uppsala University

Verified email at physics.uu.se

Materials science


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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	980*	2016
Itinerant magnetic multipole moments of rank five as the hidden order in URu 2 Si 2 F Cricchio, F Bultmark, O Grånäs, L Nordström Physical review letters 103 (10), 107202, 2009	109	2009
Multipole decomposition of LDA+ U energy and its application to actinide compounds F Bultmark, F Cricchio, O Grånäs, L Nordström Physical Review B 80 (3), 035121, 2009	104	2009
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	98	2012
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	87	2015
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	54	2016
Establishing the limits of efficiency of perovskite solar cells from first principles modeling O Grånäs, D Vinichenko, E Kaxiras Scientific Reports 6, 36108, 2016	51	2016
The elk FP-LAPW code K Dewhurst, S Sharma, L Nordstrom, F Cricchio, F Bultmark, O Grånäs, ... ELK, http://elk.sourceforge. net, 2016	50	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	48	2016
Low spin moment due to hidden multipole order from spin-orbital ordering in LaFeAsO F Cricchio, O Grånäs, L Nordström Physical Review B 81 (14), 140403, 2010	46	2010
Large magnetic anisotropy of Fe 2 P investigated via ab initio density functional theory calculations M Costa, O Grånäs, A Bergman, P Venezuela, P Nordblad, M Klintenberg, ... Physical Review B 86 (8), 085125, 2012	31	2012
Microscopic picture of Co clustering in ZnO D Iuşan, M Kabir, O Grånäs, O Eriksson, B Sanyal Physical Review B 79 (12), 125202, 2009	27	2009
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), 07D131, 2008	26	2008
Thermodynamics of ordered and disordered phases in the binary Mo-Ru system AE Kissavos, S Shallcross, L Kaufman, O Grånäs, AV Ruban, ... Physical Review B 75 (18), 184203, 2007	21	2007
Electronic structure, cohesive properties, and magnetism of SrRuO 3 O Grånäs, I Di Marco, O Eriksson, L Nordström, C Etz Physical Review B 90 (16), 165130, 2014	20	2014
Adaptive smearing for Brillouin zone integration T Björkman, O Grånäs International Journal of Quantum Chemistry 111 (5), 1025-1030, 2011	20	2011
Theoretical study of the Mo–Ru sigma phase O Grånäs, PA Korzhavyi, AE Kissavos, IA Abrikosov Calphad 32 (1), 171-176, 2008	20	2008
Electronic and Magnetic Properties of single Fe atoms on a CuN Surface; Effects of Electron Correlations SK Panda, I Di Marco, O Grånäs, O Eriksson, J Fransson Physical Review B 93, 140101(R), 2016	17	2016
Correlation effects and orbital magnetism of Co clusters L Peters, I Di Marco, O Grånäs, E Şaşıoğlu, A Altun, S Rossen, C Friedrich, ... Physical Review B 93 (22), 224428, 2016	15	2016
A new first principles approach to calculate phonon spectra of disordered alloys O Grånäs, B Dutta, S Ghosh, B Sanyal Journal of Physics: Condensed Matter 24 (1), 015402, 2011	15	2011

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