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Department of Physics, University of Warwick, Coventry, CV4 7AL, UK, Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry, CV4 7AL, UK
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Equivariant neural networks now enable accurate and efficient computation of vibrational infrared and Raman spectra for flexible molecules like methanol, pushing the boundaries of computational spectroscopy.
