Ensemble tree-based machine learning models predicted band gap energies across multiple halide perovskite families with strong accuracy and identified B-site and X-site properties as key descriptors to guide design of new low-toxicity materials for optoelectronics.
On 2026-09-08, a study in Physical Chemistry Chemical Physics reported machine learning models that predict band gap energies across various halide perovskite types from atomic and structural properties. The work tested ensemble tree-based algorithms including random forest, gradient boosted trees, and XGBoost and examined feature importance to link descriptors to band gaps.
- Impact 30%
- 49
- Evidence 25%
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- Scale 20%
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- Confidence 15%
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- Recency 10%
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Updated Sep 9, 2026 · TRV-2026-1028
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