Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D Perovskites and Heterostructures
Jan 1, 2024·,,,,,,,,,,·
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Junke Jiang
Tammo Van Der Heide
Simon Thébaud
Carlos R Lien-Medrano
Marios Zacharias
Arnaud Fihey
George Volonakis
Bálint Aradi
Claudine Katan
Thomas Frauenheim
Others