Equivariant machine learning of Electric Field Gradients -- Predicting the quadrupolar coupling constant in the MAPbI$_3$ phase transition

Fuente: arXiv
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Bibliographic Details
Main Authors: Schmiedmayer, Bernhard, Wolffs, J. W., de Wijs, Gilles A., Kentgens, Arno P. M., Lahnsteiner, Jonathan, Kresse, Georg
Format: Preprint
Published: 2025
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