Latent space active learning with message passing neural network: the case of HfO_{2}

Latent space active learning with message passing neural network: the case of HfO_{2}

A dataset containing the structures obatined from the active learning process and their calculated energies and forces. See more details in our papr "Latent space active learning with message passing neural network: the case of HfO_{2}".

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Bibliographische Detailangaben
1. Verfasser: Ouyang, Xinjian
Format: Dataset
Sprache:eng
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Beschreibung
Zusammenfassung:A dataset containing the structures obatined from the active learning process and their calculated energies and forces. See more details in our papr "Latent space active learning with message passing neural network: the case of HfO_{2}".
DOI:10.5281/zenodo.13729579