Machine learning of free energies in chemical compound space using ensemble representations
- Author(s)
- Jan Weinreich, Nicholas J. Browning, O. Anatole Von Lilienfeld
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Universität Basel
- Journal
- Journal of Chemical Physics
- Volume
- 154
- No. of pages
- 10
- ISSN
- 0021-9606
- DOI
- https://doi.org/10.1063/5.0041548
- Publication date
- 04-2021
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103018 Materials physics, 102019 Machine learning, 103006 Chemical physics
- ASJC Scopus subject areas
- Physics and Astronomy(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/machine-learning-of-free-energies-in-chemical-compound-space-using-ensemble-representations(0fe3c021-9c65-4956-9b51-942d0df08654).html