Machine Learning: Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra (Adv. Sci. 9/2019)

Advanced Science

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[1] Department of Applied Mathematics and Computer Science, Technical University of Denmark, Richard Petersens Plads,, 2800 Kgs., Lyngby, Denmark;Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto, FI‐00076, Finland;Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto, FI‐00076, Finland;Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstr. 4,, D‐85747, Garching, Germany;Department of Computer Science, Aalto University, P.O. Box 15400, Aalto, FI‐00076, Finland;Department of Computer Science, Aalto University, P.O. Box 15400, Aalto, FI‐00076, Finland;Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto, FI‐00076, Finland;

关键词: artificial intelligence;    DFT calculations;    excitation spectra;    neural networks;    organic molecules;   

DOI  :  10.1002/advs.201970053

来源: publisher

【 授权许可】

Unknown