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