Direct machine-learning prediction of solar-cell efficiency limits is cheaper and more accurate than predicting absorption spectra first, and the resulting errors are comparable to the spread between different DFT methods.
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The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?
Direct machine-learning prediction of solar-cell efficiency limits is cheaper and more accurate than predicting absorption spectra first, and the resulting errors are comparable to the spread between different DFT methods.