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001032226 0247_ $$2datacite_doi$$a10.34734/FZJ-2024-06074
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001032226 020__ $$a978-3-95806-795-0
001032226 037__ $$aFZJ-2024-06074
001032226 041__ $$aEnglish
001032226 1001_ $$0P:(DE-Juel1)179506$$aHilgers, Robin$$b0$$eCorresponding author
001032226 245__ $$aPrediction of Magnetic Materials for Energy and Information Combining Data-Analytics and First-Principles Theory$$f2020-09-01 - 2023-11-30
001032226 260__ $$aJülich$$bForschungszentrum Jülich GmbH Zentralbibliothek, Verlag$$c2024
001032226 300__ $$axv, 215
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001032226 3367_ $$0PUB:(DE-HGF)11$$2PUB:(DE-HGF)$$aDissertation / PhD Thesis$$bphd$$mphd$$s1736757333_28482
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001032226 4900_ $$aReihe Schlüsseltechnologien / Key Technologies$$v288
001032226 502__ $$aDissertation, RWTH Aachen University, 2024$$bDissertation$$cRWTH Aachen University$$d2024$$o2024-10-01
001032226 500__ $$aFirst published with RWTH Aachen University
001032226 520__ $$aThe essential role of magnetic materials in information technology and the corresponding energy consumption of data storage centers is crucially underestimated in modern society. Saving energy resources is the societal challenge of the 21st century. One of the leading scientific objectives is finding ways to reduce energy consumption and make resource usage more efficient. This thesis aims to shed light on possible contributions of materials science simulations towards a green IT transformation by providing workflows and best-practice guidelines for high-throughput materials screening tasks. An instance of such a screening task is the search for magnetic materials for the next generation of storage and data processing devices. However, as the simulation process itself is time-consuming, this thesis explores not only the material phase space but also the application opportunities for data science and machine learning (ML) in the material’s property prediction process. As a prime example of a complex magnetic material property, which is a limiting quantity when it comes to methodological applicability, the critical temperature 
001032226 536__ $$0G:(DE-HGF)POF4-632$$a632 - Materials – Quantum, Complex and Functional Materials (POF4-632)$$cPOF4-632$$fPOF IV$$x0
001032226 536__ $$0G:(DE-Juel1)HDS-LEE-20190612$$aHDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612)$$cHDS-LEE-20190612$$x1
001032226 65027 $$0V:(DE-MLZ)SciArea-170$$2V:(DE-HGF)$$aMagnetism$$x0
001032226 65027 $$0V:(DE-MLZ)SciArea-180$$2V:(DE-HGF)$$aMaterials Science$$x1
001032226 65027 $$0V:(DE-MLZ)SciArea-120$$2V:(DE-HGF)$$aCondensed Matter Physics$$x2
001032226 65017 $$0V:(DE-MLZ)GC-110$$2V:(DE-HGF)$$aEnergy$$x0
001032226 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b1$$eThesis advisor
001032226 7001_ $$0P:(DE-Juel1)131042$$aWortmann, Daniel$$b2$$eConsultant
001032226 7001_ $$0P:(DE-Juel1)188313$$aAssent, Ira$$b3$$eReviewer
001032226 7001_ $$0P:(DE-Juel1)176716$$aWuttig, Matthias$$b4$$eReviewer
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001032226 9141_ $$y2024
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001032226 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x0
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