Open access
Aug 2026
SHAP-guided Machine Learning for Interpretable Band Gap Prediction and Inverse Design in ABX₃ Perovskites
This work reports positive demonstration of inverse design of high confidence ABX3 candidates with 1.5–2.5 eV separations, such as the sub-optimized discovery of RbSnS3, which provides a scalable way towards rational discovery of perovskites.
Aldrin Manon, Rajiv Kumar Gill, vijay kumar et al.
· International Journal of Com... · 0 citations