Selected machine learning of HOMO-LUMO gaps with improved data-efficiency
- Author(s)
- Bernard Mazouin, Alexandre Alain Schöpfer, O. Anatole von Lilienfeld
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Universität Basel, University of Toronto, Vector Institute for Artificial Intelligence, Technische Universität Berlin
- Journal
- Materials Advances
- Volume
- 3
- Pages
- 8306-8316
- No. of pages
- 11
- DOI
- https://doi.org/10.1039/d2ma00742h
- Publication date
- 09-2022
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 102019 Machine learning, 103006 Chemical physics
- Keywords
- ASJC Scopus subject areas
- Chemistry (miscellaneous), General Materials Science
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/da398d58-2af2-472c-b8c3-3577ff0c6162