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AIMD dataset for Hafnium dioxide

The AIMD dataset generated from a melt-quench ab initio molecular dynamics (AIMD) protocol for Hafnium dioxide (HfO2)

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Cite this as

Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur, Christian Holm, Marius Stan, Gábor Csányi, Chris Benmore, Álvaro Vázquez-Mayagoitia (2024). Dataset: AIMD dataset for Hafnium dioxide. https://doi.org/10.57702/krrturyn

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Additional Info

Field Value
Created December 17, 2024
Last update December 17, 2024
Defined In https://doi.org/10.1038/s41524-020-00367-7
Author Ganesh Sivaraman
More Authors
Anand Narayanan Krishnamoorthy
Matthias Baur
Christian Holm
Marius Stan
Gábor Csányi
Chris Benmore
Álvaro Vázquez-Mayagoitia