Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

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Title:: Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential
Document type:: Zeitschriftenaufsatz
Author(s):: Anniés, Simon; Panosetti, Chiara; Voronenko, Maria; Mauth, Dario; Rahe, Christiane; Scheurer, Christoph
Journal title:: Materials
Year:: 2021
Journal volume:: 14
Journal issue:: 21
Pages contribution:: 6633
Fulltext / DOI:: doi:10.3390/ma14216633
Publisher:: MDPI AG
E-ISSN:: 1996-1944
Date of publication:: 03.11.2021
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