Dataset Open Access

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

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

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.

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Publication date:
March 25, 2024
DOI:
10.14278/rodare.2778

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10.14278/rodare.2778

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https://www.hzdr.de/publications/Publ-38894
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https://www.hzdr.de/publications/Publ-37800
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