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