1. Faculty of Physics, University of Vienna, Kolingasse 14-16, AT-1090 Wien, Austria
2. Vector Institute for Artificial Intelligence, Toronto, M5S 1M1 Ontario, Canada
3. Department of Chemistry-Ångström Laboratory, Uppsala University, Box 538, SE-75121 Uppsala, Sweden
4. Department of Chemistry, University Kassel, Heinrich-Plett-Str.40, 34132 Kassel, Germany
5. Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), Heinrich-Plett-Straße 40, 34132 Kassel, Germany
6. Departments of Chemistry, Materials Science and Engineering, and Physics, University of Toronto, St. George Campus, Toronto, M5S 1A1 Ontario, Canada
7. Machine Learning Group, Technische Universität Berlin and Institute for the Foundations of Learning and Data, 10587 Berlin, Germany