High-throughput density functional perturbation theory and...

npj Computational Materials 2020 / 12 Vol. 6; Iss. 1

High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses

Choudhary, Kamal, Garrity, Kevin F., Sharma, Vinit, Biacchi, Adam J., Hight Walker, Angela R., Tavazza, Francesca
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Volume:
6
Journal:
npj Computational Materials
DOI:
10.1038/s41524-020-0337-2
Date:
December, 2020
File:
PDF, 4.88 MB
2020
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