December 11, 2020 Dataset Restricted Access

Ellis, J. A.; Cangi, A.; Modine, N. A.; Stephens, J. A.; Thompson, A. P.; Rajamanickam, S.

DCAT Export

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    <dct:title>Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks</dct:title>
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    <dcat:keyword>machine learning</dcat:keyword>
    <dcat:keyword>neural networks</dcat:keyword>
    <dcat:keyword>materials science</dcat:keyword>
    <dcat:keyword>density functional theory</dcat:keyword>
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    <dct:description>&lt;p&gt;Output from electronic structure code (Quantum Espresso) that serves as training data for the machine-learning workflow of the related scientific publication (https://arxiv.org/abs/2010.04905).&lt;/p&gt;</dct:description>
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