Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
1 PublicationData publication: Training-free hyperparameter optimization of neural networks for electronic structures in matter
Fiedler, L.; Hoffmann, N.; Mohammed, P.; Popoola, G. A.; Yovell, T.; Oles, V.; Ellis, J. A.; Rajamanickam, S.; Cangi, A.
This repository contains scripts to reproduce the results of the publication
"Electronic Structure Machine Learning Surrogates without Training". Training data has to be downloaded separately.
Keywords: Density Functional Theory; Machine Learning; Surrogate Model
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Reseach data in external data repository
Publication year 2022
License: Creative Commons Attribution 4.0 International
Hosted on B2SHARE: Link to location
DOI: 10.23728/b2share.436e1e79daa54436a7703340431b4e19
Permalink: https://www.hzdr.de/publications/Publ-35227
