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Wortmann, Daniel
2023
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Wortmann, Daniel
2023
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1
Software
FLEUR
Wortmann, Daniel
2023
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2
Dataset
Relaxed thin film structures of one, two, and three magnetic 3d transition metal layers on FCC noble-metal substrates based on FLAPW PBE calculations
Hilgers, Robin
2023
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3
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Code collection for machine learning assisted materials screening in the search for novel half-metallic Heusler alloys
Hilgers, Robin
2023
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Machine Learning-based estimation and explainable artificial intelligence-supported interpretation of the critical temperature from magnetic ab initio Heusler alloys data
Hilgers, Robin
2023
2023
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5
Conference Presentation
Magnetic Multilayers: From High-Throughput Ab-initio Calculations to Predictive Machine Learning
Hilgers, Robin
2023
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6
Conference Presentation
Calculation Of Phonon Spectra With The FLAPW Method Using Density Functional Perturbation Theory
Neukirchen, Alexander
2023
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7
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Bosoni, Emanuele
2023
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Application of Machine-Learning Models and XAI in Materials Science Using Magnetic DFT Data
Hilgers, Robin
2023
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9
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Application of batch learning for boosting high-throughput ab initio success rates and reducing computational effort required using data-driven processes
Hilgers, Robin
2023
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10
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Density of states of full and inverse Heusler magnetic alloys
Hilgers, Robin
2023
2023
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Curie Temperature Prediction of Magnetic Heusler Alloys Using Ab-initio Data
Hilgers, Robin
2023
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12
Conference Presentation
Curie Temperature Prediction Models of Magnetic Heusler Alloys Using Machine Learning Methods Based on First-Principles Data From Ab-initio KKR-GF Calculations
Hilgers, Robin
2023
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Workflow, data processing, data analysis and predictive ML scripts used for DFT-integrated machine learning methodology in combination with the FLAPW code FLEUR
Hilgers, Robin
2023
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7
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Conference Presentation
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Blügel, Stefan
13
Wortmann, Daniel
Hilgers, Robin
11
Michalicek, Gregor
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Bihlmayer, Gustav
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Broeder, Jens
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Gerhorst, Christian-Roman
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Janssen, Henning
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Kovacik, Roman
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Madsen, Georg K. H.
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Neukirchen, Alexander
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Alekseeva, Uliana
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Assent, Ira
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Baadji, Nadjib
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Beal, Louis
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Bercx, Marnik
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Betzinger, Markus
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Blaha, Peter
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Bosoni, Emanuele
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Burnus, Tobias
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Callsen, Martin
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Cottenier, Stefaan
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Degomme, Augustin
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Dikan, Vladimir
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Eimre, Kristjan
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Enkovaara, Jussi
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Flage-Larsen, Espen
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Fornari, Marco
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Freimuth, Frank
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Friedrich, Christoph
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Research Program
Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE)
10
Topological Matter
9
Materials – Quantum, Complex and Functional Materials
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ohne Topic
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Helmholtz Platform for Research Software Engineering - Preparatory Study
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MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design
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Materials and Interfaces
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Quanten-Theorie der Materialien; IAS-1
13
Quanten-Theorie der Materialien; PGI-1
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JARA - HPC; JARA-HPC
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JARA-FIT; JARA-FIT
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Materials Data Science and Informatics; IAS-9
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