Machine learning-enhanced band gaps prediction for low-symmetry double and layered perovskites

Density functional theory (DFT) calculations are widely used for material property prediction, but their computational cost can hinder the discovery of novel perovskites. This work explores machine learning (ML) as a faster alternative for predicting band gaps in complex perovskites, focusing on low...

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Bibliographic Details
Published in:Scientific reports Vol. 14; no. 1; pp. 26736 - 13
Main Authors: Sabagh Moeini, Alireza, Shariatmadar Tehrani, Fatemeh, Naeimi-Sadigh, Alireza
Format: Journal Article
Language:English
Published: London Nature Publishing Group UK 05.11.2024
Nature Publishing Group
Nature Portfolio
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ISSN:2045-2322, 2045-2322
Online Access:Get full text
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