A gradient-boosting model using atom-specific persistent homology barcodes predicts DFT band gaps of 140 two-dimensional lead-halide perovskites with MAE 0.12 eV.
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Topological representation of layered hybrid lead halides for machine-learning using universal clusters
A gradient-boosting model using atom-specific persistent homology barcodes predicts DFT band gaps of 140 two-dimensional lead-halide perovskites with MAE 0.12 eV.