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1
المؤلفون: Bertold Rasche, Julius Brunner, Tim Schramm, Madhav Prasad Ghimire, Ulrike Nitzsche, Bernd Büchner, Romain Giraud, Manuel Richter, Joseph Dufouleur
المساهمون: Institute of Physical Chemistry [Cologne], University of Cologne, Leibniz Institute for Solid State and Materials Research (IFW Dresden), Leibniz Association, Tribhuvan University, Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden (IFW Dresden), SPINtronique et TEchnologie des Composants (SPINTEC), Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)
المصدر: Nano Letters
Nano Letters, 2022, 22 (9), pp.3550-3556. ⟨10.1021/acs.nanolett.1c04868⟩مصطلحات موضوعية: Mechanical Engineering, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Bioengineering, General Chemistry, Condensed Matter Physics
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المؤلفون: Patrik Thunström, Ulrike Nitzsche, Georg Kresse, Stefan Goedecker, Stewart J. Clark, Claudia Draxl, José A. Flores-Livas, Martin Schlipf, Xavier Gonze, P. J. Hasnip, Klaus Koepernik, Marc Torrent, Matthias Scheffler, F. Jollet, Alexandre Tkatchenko, Martijn Marsman, Jonathan R. Yates, Volker Blum, Paolo Giannozzi, Gustav Bihlmayer, D. R. Hamann, Oscar Grånäs, Torbjörn Björkman, Nicola Marzari, Matteo Giantomassi, Keith Refson, Yaroslav Kvashnin, Natalie Holzwarth, Michiel van Setten, Guo-Xu Zhang, Taisuke Ozaki, Stefano de Gironcoli, Ivano E. Castelli, Stefaan Cottenier, Chris J. Pickard, J. K. Dewhurst, David Vanderbilt, Manuel Richter, Thierry Deutsch, Veronique Van Speybroeck, Gian-Marco Rignanese, Ward Poelmans, Kurt Lejaeghere, Sangeeta Sharma, Damien Caliste, Lorenzo Paulatto, Igor Di Marco, Francesca Tavazza, Emine Kucukbenli, Peter Blaha, Francois Gygi, Stefan Blügel, Andrea Dal Corso, Dominik B. Jochym, Lars Nordström, Karlheinz Schwarz, Luigi Genovese, Santanu Saha, Diana Iusan, Matt Probert, John M. Wills, Andris Gulans, Daniel M. Jones, E. K. U. Gross, Inka L. M. Locht, Sven Lubeck, Marcin Dulak, Kevin F. Garrity, Olle Eriksson
المساهمون: Center for molecular modeling, Universiteit Gent = Ghent University (UGENT), Institute of Materials Chemistry, Vienna University of Technology (TU Wien), Laboratory of Atomistic Simulation (LSIM ), Modélisation et Exploration des Matériaux (MEM), Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019])-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Department of Physics [Durham], Durham University, Department of Physics and Astronomy [Uppsala], Uppsala University, Max-Planck-Institut für Mikrostrukturphysik (MPI-HALLE), Max-Planck-Gesellschaft, University of Udine Italy, University of Basel (Unibas), Institut de la matière condensée et des nanosciences / Institute of Condensed Matter and Nanosciences (IMCN), Université Catholique de Louvain = Catholic University of Louvain (UCL), University of Oxford, Ecole Polytechnique Fédérale de Lausanne (EPFL), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement [IRD] : UR206-Centre National de la Recherche Scientifique (CNRS), Department of Materials Science and Metallurgy [Cambridge University] (DMSM), University of Cambridge [UK] (CAM), STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC), DAM Île-de-France (DAM/DIF), Direction des Applications Militaires (DAM), European Project: 329386,EC:FP7:PEOPLE,FP7-PEOPLE-2012-IEF,EXMAMA(2013), European Project: 676580,H2020,H2020-EINFRA-2015-1,NoMaD(2015), Universiteit Gent = Ghent University [Belgium] (UGENT), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes [2016-2019] (UGA [2016-2019]), University of Oxford [Oxford], Pickard, Christopher [0000-0002-9684-5432], Apollo - University of Cambridge Repository
المصدر: Science
Science, 2016, 351 (6280), pp.1415-U81. ⟨10.1126/science.aad3000⟩
Science, American Association for the Advancement of Science, 2016, 351 (6280), pp.1415-U81. ⟨10.1126/science.aad3000⟩
Science (N. Y., N.Y.) 351 (2016). doi:10.1126/science.aad3000
info:cnr-pdr/source/autori:Lejaeghere, Kurt; Bihlmayer, Gustav; Bjoerkman, Torbjoern; Blaha, Peter; Bluegel, Stefan; Blum, Volker; Caliste, Damien; Castelli, Ivano E.; Clark, Stewart J.; Dal Corso, Andrea; de Gironcoli, Stefano; Deutsch, Thierry; Dewhurst, John Kay; Di Marco, Igor; Draxl, Claudia; Dulak, Marcin; Eriksson, Olle; Flores-Livas, Jose A.; Garrity, Kevin F.; Genovese, Luigi; Giannozzi, Paolo; Giantomassi, Matteo; Goedecker, Stefan; Gonze, Xavier; Granaes, Oscar; Gross, E. K. U.; Gulans, Andris; Gygi, Francois; Hamann, D. R.; Hasnip, Phil J.; Holzwarth, N. A. W.; Iusan, Diana; Jochym, Dominik B.; Jollet, Francois; Jones, Daniel; Kresse, Georg; Koepernik, Klaus; Kuecuekbenli, Emine; Kvashnin, Yaroslav O.; Locht, Inka L. M.; Lubeck, Sven; Marsman, Martijn; Marzari, Nicola; Nitzsche, Ulrike; Nordstrom, Lars; Ozaki, Taisuke; Paulatto, Lorenzo; Pickard, Chris J.; Poelmans, Ward; Probert, Matt I. J.; Refson, Keith; Richter, Manuel; Rignanese, Gian-Marco; Saha, Santanu; Scheffler, Matthias; Schlipf, Martin; Schwarz, Karlheinz; Sharma, Sangeeta; Tavazza, Francesca; Thunstroem, Patrik; Tkatchenko, Alexandre; Torrent, Marc; Vanderbilt, David; van Setten, Michiel J.; Van Speybroeck, Veronique; Wills, John M.; Yates, Jonathan R.; Zhang, Guo-Xu; Cottenier, Stefaan/titolo:Reproducibility in density functional theory calculations of solids/doi:10.1126%2Fscience.aad3000/rivista:Science (N. Y., N.Y.)/anno:2016/pagina_da:/pagina_a:/intervallo_pagine:/volume:351
Science, 351, 1415-U81
SCIENCE
Lejaeghere, K, Bihlmayer, G, Björkman, T, Blaha, P, Blügel, S, Blum, V, Caliste, D, Castelli, I E, Clark, S J, Dal Corso, A, de Gironcoli, S, Deutsch, T, Dewhurst, J K, Di Marco, I, Draxl, C, Dulak, M, Eriksson, O, Flores-Livas, J A, Garrity, K F, Genovese, L, Giannozzi, P, Giantomassi, M, Goedecker, S, Gonze, X, Grånäs, O, Gross, E K U, Gulans, A, Gygi, F, Hamann, D R, Hasnip, P J, Holzwarth, N A W, Iuşan, D, Jochym, D B, Jollet, F, Jones, D, Kresse, G, Koepernik, K, Küçükbenli, E, Kvashnin, Y O, Locht, I L M, Lubeck, S, Marsman, M, Marzari, N, Nitzsche, U, Nordström, L, Ozaki, T, Paulatto, L, Pickard, C J, Poelmans, W, Probert, M I J, Refson, K, Richter, M, Rignanese, G-M, Saha, S, Scheffler, M, Schlipf, M, Schwarz, K, Sharma, S, Tavazza, F, Thunström, P, Tkatchenko, A, Torrent, M, Vanderbilt, D, van Setten, M J, Van Speybroeck, V, Wills, J M, Yates, J R, Zhang, G-X & Cottenier, S 2016, ' Reproducibility in density functional theory calculations of solids ', Science (New York, N.Y.), vol. 351, no. 6280, pp. aad3000 . https://doi.org/10.1126/science.aad3000
Science, 351, 6280, pp. 1415-U81
Science, 2016, Vol.351(6280), pp.aad3000 [Peer Reviewed Journal]
sCIENCEمصطلحات موضوعية: REGULAR APPROXIMATIONS, DFT, first principles, delta test, Materialkemi, 02 engineering and technology, generalized-gradient approximation, augmented-wave method, regular approximations, pseudopotentials, silicon, state, 1st-principles, crystals, science, energy, 01 natural sciences, 1st-Principles, ENERGY, Materials Chemistry, Statistical physics, Pseudopotentials, validation, [PHYS]Physics [physics], Physics, Multidisciplinary, 0104 Statistics, SCIENCE, Condensed Matter Physics, 021001 nanoscience & nanotechnology, STATE, Generalized-Gradient Approximation, Density functional theory, 0210 nano-technology, Den kondenserade materiens fysik, Theory of Condensed Matter, Augmented-Wave Method, 010402 general chemistry, AUGMENTED-WAVE METHOD, Settore FIS/03 - Fisica della Materia, Theoretical physics, Generalized gradient, Clinical Research, SILICON, Basis set, GENERALIZED-GRADIENT APPROXIMATION, Reproducibility, ta114, 1ST-PRINCIPLES, PSEUDOPOTENTIALS, 0104 chemical sciences, CRYSTALS, Formalism (philosophy of mathematics), Physics and Astronomy, numerical simulation, Pairwise comparison
وصف الملف: application/pdf
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المؤلفون: Ulrike Nitzsche, Michael D. Kuz’min, Manuel Richter, Ingo Opahle, Lutz Schramm, Klaus Koepernik
المصدر: Journal of Magnetism and Magnetic Materials. :374-377
مصطلحات موضوعية: Magnetic anisotropy, Materials science, Condensed matter physics, Lattice (order), Magnet, Doping, Thermodynamics, Density functional theory, Condensed Matter Physics, Electronic band structure, Magnetocrystalline anisotropy, Standard enthalpy of formation, Electronic, Optical and Magnetic Materials
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المؤلفون: Ulrike Nitzsche, Manuel Richter, Lutz Steinbeck, Helmut Eschrig
المصدر: Physical Review B. 53:7111-7127
مصطلحات موضوعية: Crystallography, Magnetic anisotropy, Magnetization, Materials science, Condensed matter physics, Magnetic moment, Linear combination of atomic orbitals, Interstitial defect, Electronic structure, Magnetocrystalline anisotropy, Valence electron
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المصدر: Journal of Alloys and Compounds. 225:469-473
مصطلحات موضوعية: Condensed matter physics, Chemistry, Mechanical Engineering, Metals and Alloys, Charge density, Ionic bonding, Electron, Crystal, Mechanics of Materials, Crystal field theory, Electric field, Materials Chemistry, Multipole expansion, Excitation
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المؤلفون: Ulrike Nitzsche, Manuel Richter, Helmut Eschrig, Lutz Steinbeck
المصدر: Physical Review B. 49:16289-16292
مصطلحات موضوعية: Crystal, Core shell, Materials science, Field (physics), Linear combination of atomic orbitals, Impurity, Rare earth, Charge density, Neutron scattering, Atomic physics
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المؤلفون: Klaus Koepernik, Ingo Opahle, Manuel Richter, Ulrike Nitzsche
مصطلحات موضوعية: Condensed Matter - Materials Science, Materials science, Physics and Astronomy (miscellaneous), Condensed matter physics, Jahn–Teller effect, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Condensed Matter::Materials Science, Magnetization, Tetragonal crystal system, Magnetic shape-memory alloy, Ferromagnetism, Coherent potential approximation, Density functional theory, Electronic band structure
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8
المؤلفون: Ulrike Nitzsche, Deepa Kasinathan, Helge Rosner, Klaus Koepernik
المصدر: Physical Review Letters. 99
مصطلحات موضوعية: Physics, Condensed matter physics, Ferromagnetism, General Physics and Astronomy, Condensed Matter::Strongly Correlated Electrons, Orthorhombic crystal system, Insulator (electricity), Electronic structure, Spin density, Neutron scattering, Coulomb repulsion
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المؤلفون: Deepa, Kasinathan, Klaus, Koepernik, Ulrike, Nitzsche, Helge, Rosner
المصدر: Physical review letters. 99(24)
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10Academic Journal
المؤلفون: Manuel Richter, Igor Chaplygin, Ingo Opahle, Ulrike Nitzsche, Bedrich Velicky, Roland Hayn, Helge Rosner, Martin Divis, Pavel Novák
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.118.9544; http://www.ifw-dresden.de/publications/annual-reports-1/annualreport-2001/09_12_2001.pdf
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المؤلفون: Manuel Richter, Ingo Opahle, Helge Rosner, Jan Rusz, Helmut Eschrig, Ulrike Nitzsche, Klaus Koepernik
المصدر: Journal of Magnetism and Magnetic Materials. :E251-E252
مصطلحات موضوعية: Physics, Spins, Condensed matter physics, Magnetism, Electronic structure, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Metal, Ferromagnetism, visual_art, visual_art.visual_art_medium, Condensed Matter::Strongly Correlated Electrons, Itinerant magnetism, Spin (physics)
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المؤلفون: Manuel Richter, Ingo Opahle, Klaus Koepernik, Ulrike Nitzsche, Helmut Eschrig, Igor Chaplygin
المصدر: Journal of Magnetism and Magnetic Materials. :E249-E250
مصطلحات موضوعية: Materials science, Condensed matter physics, Condensed Matter::Other, Atomic force microscopy, Gadolinium, chemistry.chemical_element, Magnetostriction, Electronic structure, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Condensed Matter::Materials Science, Paramagnetism, chemistry, Condensed Matter::Strongly Correlated Electrons, Density functional theory, Spin density, Anisotropy
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المؤلفون: Helmut Eschrig, Manuel Richter, Ulrike Nitzsche
المصدر: Journal of Magnetism and Magnetic Materials. :207-208
مصطلحات موضوعية: Physics, Scheme (mathematics), Physical chemistry, Density functional theory, Spin moment, Total energy, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Computational physics
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المؤلفون: L. Steinbeck, Ulrike Nitzsche, H. Eschrig, Manuel Richter
المصدر: Journal of Magnetism and Magnetic Materials. :739-740
مصطلحات موضوعية: Electron density, Materials science, Field (physics), Charge density, Electron, engineering.material, Neutron scattering, Condensed Matter Physics, Electronic, Optical and Magnetic Materials, Crystal, Linear combination of atomic orbitals, engineering, Noble metal, Atomic physics
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15Academic Journal
المؤلفون: Parra, Aaron, Li, Meiyi, Feia, Oleh, Menesenko, Danylo, Al Sardar, Mariam, Zhitlukhina, Elena, Shapovalov, Andrii, Belogolovskii, Mikhail, Quevedo-Lopez, Manuel, Aliev, Ali
المساهمون: NATO Science for Peace and Security Programme, NASA Early Stage Innovations (ESI23) program, M.B. and E.Z. acknowledge support of the EU NextGenerationEU through the Recovery and Resilience Plan for Slovakia, O.F. thanks Ulrike Nitzsche from IFW Dresden for technical assistance
المصدر: IEEE Transactions on Applied Superconductivity ; page 1-5 ; ISSN 1051-8223 1558-2515 2378-7074