Machine learning interatomic potentials fine-tuned on first-principles relaxation data accurately reproduce phonon spectra and optical lineshapes for defects, matching explicit calculations and experiments.
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Machine Learning Phonon Spectra for Fast and Accurate Optical Lineshapes of Defects
Machine learning interatomic potentials fine-tuned on first-principles relaxation data accurately reproduce phonon spectra and optical lineshapes for defects, matching explicit calculations and experiments.