Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space

Author(s)
J. Westermayr, P. Marquetand
Organisation(s)
Department of Theoretical Chemistry, Research Network Data Science, Research Platform Accelerating Photoreaction Discovery
Journal
Journal of Chemical Physics
Volume
153
No. of pages
10
ISSN
0021-9606
DOI
https://doi.org/10.1063/5.0021915
Publication date
10-2020
Peer reviewed
Yes
Austrian Fields of Science 2012
104017 Physical chemistry, 103006 Chemical physics
Keywords
ASJC Scopus subject areas
Physics and Astronomy(all), Physical and Theoretical Chemistry
Portal url
https://ucris.univie.ac.at/portal/en/publications/deep-learning-for-uv-absorption-spectra-with-schnarc-first-steps-toward-transferability-in-chemical-compound-space(b1f36a4e-5c0a-4265-b733-a2eec115f580).html