Data publication: Machine Learning-Driven Structure Prediction for Iron Hydrides

Tahmasbi, Hossein; Ramakrishna, Kushal; Lokamani, Mani; Cangi, Attila

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Data publication: Machine Learning-Driven Structure Prediction for Iron Hydrides

Tahmasbi, H.; Ramakrishna, K.; Lokamani, M.; Cangi, A.

Abstract

Here, we provide the training datasets and the resulting neural network potential for exploring the potential energy surfaces of the FeH system using the minima hopping method. Additionally, data for the minima structures identified in this work are included.

Verknüpfte Publikationen

Machine Learning-Driven Structure Prediction for Iron Hydrides
ROBIS: 37800 has used this (Id 38894) publication of HZDR-primary research data

Forschungsdaten im HZDR-Daten-Repositorium RODARE
Publication date: 2024-03-25 Open access
DOI: 10.14278/rodare.2777
Versions: 10.14278/rodare.2778
License: CC-BY-4.0

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Veröffentlichung im HZDR-Daten-Repository RODARE - Id 2777

Permalink: https://www.hzdr.de/publications/Publ-38894