Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Advanced Science

  ^{1    1    2    2    3    4    5} 

[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.201801367

来源: publisher

【 授权许可】

Unknown