Interpretable machine learning methods to predict the mechanical properties of ABX3 perovskites

This paper proposes the utility of interpretable ensemble learning models for predicting the mechanical properties (bulk, shear and Young moduli) of ABX3 perovskite compounds with the A, B, and X referring to the 3 elements that make the cubic 3-dimensional framework of the perovskite compounds. The...

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Autori principali:	S.B. Akinpelu, S.A. Abolade, E. Okafor, D.O. Obada, A.M. Ukpong, S. Kumar R., J. Healy, A. Akande
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2024-10-01
Serie:	Results in Physics
Soggetti:	Perovskites Density functional theory Machine learning Features Elastic constants Bulk modulus
Accesso online:	http://www.sciencedirect.com/science/article/pii/S2211379724006636
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