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Blügel, Stefan
MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design
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Blügel, Stefan
MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design
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1
Journal Article
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Bosoni, Emanuele
2024
Nature reviews / Physics, 6 (2024) S. 45-58
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2
Journal Article
Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR *
Gerhorst, Christian-Roman
2024
Electronic structure, 6 (2024) 1, S. 017001 -
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FLEUR
Wortmann, Daniel
2023
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Conference Presentation
Recent Progress of theFull-Potential Linearized Augmented Plane-Wave (FLAPW) Method
Blügel, Stefan
2023
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Solution to the modified Helmholtz equation for arbitrary periodic charge densities
Winkelmann, Miriam
2021
Frontiers in physics, 8 (2021) S. 618142
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5
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3
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Journal Article
3
Conference Presentation
1
Software
1
Name
Blügel, Stefan
Wortmann, Daniel
4
Michalicek, Gregor
3
Betzinger, Markus
2
Bihlmayer, Gustav
2
Broeder, Jens
2
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Gerhorst, Christian-Roman
2
Janssen, Henning
2
Klüppelberg, Daniel Aaron
2
Madsen, Georg K. H.
2
Neukirchen, Alexander
2
Winkelmann, Miriam
2
Alekseeva, Uliana
1
Baadji, Nadjib
1
Beal, Louis
1
Bercx, Marnik
1
Blaha, Peter
1
Bosoni, Emanuele
1
Burnus, Tobias
1
Callsen, Martin
1
Cottenier, Stefaan
1
Degomme, Augustin
1
Di Napoli, Edoardo
1
Dikan, Vladimir
1
Eimre, Kristjan
1
Enkovaara, Jussi
1
Flage-Larsen, Espen
1
Fornari, Marco
1
Freimuth, Frank
1
Friedrich, Christoph
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Research Program
MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design
Topological Matter
4
Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups
2
Helmholtz Platform for Research Software Engineering - Preparatory Study
2
Joint Virtual Laboratort for AI, Data Analytics and Scalable Simulation
1
Quantum Materials
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Simulation and Data Laboratory Quantum Materials (SDLQM)
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Contributing Institute
Quanten-Theorie der Materialien; IAS-1
5
Quanten-Theorie der Materialien; PGI-1
5
JARA - HPC; JARA-HPC
3
JARA-FIT; JARA-FIT
3
Jülich Supercomputing Center; JSC
1
Materials Data Science and Informatics; IAS-9
1
Scientific Report
2023
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2024
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2021
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