Website

FZJ-2023-05862

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Best of Atomistic Machine Learning

Wasmer, J. (Corresponding author)FZJ* ; Evans, M. (Contributor) ; Blaiszik, B. (Contributor) ; Riebesell, J.

2023

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Please use a persistent id in citations: doi:10.5281/ZENODO.10430261

Abstract: A ranked list of awesome atomistic machine learning projects.

Keyword(s): ai4science ; atomistic-machine-learning ; scientific-machine-learning ; community-resource ; living-document ; best-of-list ; awesome-list ; molecular-dynamics ; density-functional-theory ; computational-materials-science ; computational-chemistry ; quantum-chemistry ; materials-discovery ; materials-informatics ; drug-discovery ; surrogate-models ; electronic-structure ; interatomic-potentials ; materials-datasets ; chemistry-datasets

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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. 5112 - Cross-Domain Algorithms, Tools, Methods Labs (ATMLs) and Research Groups (POF4-511) (POF4-511)
2. AIDAS - Joint Virtual Laboratory for AI, Data Analytics and Scalable Simulation (aidas_20200731) (aidas_20200731)
3. HDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612) (HDS-LEE-20190612)
4. DFG project 491111487 - Open-Access-Publikationskosten / 2022 - 2024 / Forschungszentrum Jülich (OAPKFZJ) (491111487) (491111487)

Appears in the scientific report 2023

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