Poster (Other)

FZJ-2024-01472

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Machine Learning Emulators for First-Principles Simulations of Quantum Materials

Wasmer, J.FZJ* ; Rüssmann, P.FZJ* ; Assent, I.FZJ* ; Blügel, S.FZJ*

2023

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Please use a persistent id in citations: doi:10.5281/ZENODO.10441576  doi:10.34734/FZJ-2024-01472

Abstract: Poster about Johannes Wasmer's PhD project, presented at the HDS-LEE Midterm Evaluation in February 2023.

Keyword(s): density functional theory ; machine learning ; quantum materials ; topological insulators ; scientific workflows ; AiiDA ; magnetism ; materials database ; material defects

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 5211 - Topological Matter (POF4-521) (POF4-521)
2. HDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612) (HDS-LEE-20190612)
3. AIDAS - Joint Virtual Laboratory for AI, Data Analytics and Scalable Simulation (aidas_20200731) (aidas_20200731)

Appears in the scientific report 2023

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