Automated optimization of convergence parameters in plane wave density functional theory calculations via a tensor decomposition-based uncertainty quantification

Fuente: arXiv

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Bibliographic Details
Main Authors:	Janssen, Jan, Makarov, Edgar, Hickel, Tilmann, Shapeev, Alexander V., Neugebauer, Jörg
Format:	Preprint
Published:	2021
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2112.04081