Combining SchNet and SHARC: The SchNarc Machine Learning Approach for Excited-State Dynamics
- Author(s)
- Julia Westermayr, Michael Gastegger, Philipp Marquetand
- Organisation(s)
- Department of Theoretical Chemistry, Research Platform Accelerating Photoreaction Discovery, Research Network Data Science
- External organisation(s)
- Technische Universität Berlin
- Journal
- Journal of Physical Chemistry Letters
- Volume
- 11
- Pages
- 3828-3834
- No. of pages
- 7
- ISSN
- 1948-7185
- DOI
- https://doi.org/10.1021/acs.jpclett.0c00527
- Publication date
- 05-2020
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104017 Physical chemistry, 103006 Chemical physics
- Keywords
- ASJC Scopus subject areas
- Materials Science(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/combining-schnet-and-sharc-the-schnarc-machine-learning-approach-for-excitedstate-dynamics(a9074818-0553-47f3-af5a-7f3babea1f89).html