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Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO₂ and RuO₂

Title data

Timmermann, Jakob ; Lee, Yonghyuk ; Staacke, Carsten G. ; Margraf, Johannes T. ; Scheurer, Christoph ; Reuter, Karsten:
Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO₂ and RuO₂.
In: The Journal of Chemical Physics. Vol. 55 (2021) . - 244107.
ISSN 0021-9606
DOI: https://doi.org/10.1063/5.0071249

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Künstliche Intelligenz in der physiko-chemischen Materialanalytik
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Künstliche Intelligenz in der physiko-chemischen Materialanalytik > Chair Künstliche Intelligenz in der physiko-chemischen Materialanalytik - Univ.-Prof. Dr. Johannes Theo Margraf
Result of work at the UBT: No
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 13 Nov 2023 12:54
Last Modified: 13 Nov 2023 12:54
URI: https://eref.uni-bayreuth.de/id/eprint/87684