Publication | Open Access
Machine Learning: Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra (Adv. Sci. 9/2019)
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2019
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Artificial IntelligenceAi SpectroscopyMolecular SpectroscopyDeep Learning SpectroscopyMachine LearningEngineeringNatural SciencesSpectroscopyMolecular PropertyMolecular BiologyMolecular Excitation SpectraSpectra-structure CorrelationMolecular ComputingComputational ChemistryChemistryBiophysicsMolecular Design
With artificial intelligence (AI), we learn the relationship between molecular structure and properties. In article number 1801367, Patrick Rinke and co-workers build a deep learning AI spectroscopist that can make predictions for molecular spectra instantly and at no further cost for the end user. AI spectroscopy will greatly accelerate the way in which science is done and aid materials discovery and design.