On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations
- Author(s)
- Ryosuke Jinnouchi, Kazutoshi Miwa, Ferenc Karsai, Georg Kresse, Ryoji Asahi
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Toyota Central R&D Labs., Inc., VASP Software GmbH
- Journal
- Journal of Physical Chemistry Letters
- Volume
- 11
- Pages
- 6946-6955
- No. of pages
- 10
- ISSN
- 1948-7185
- DOI
- https://doi.org/10.1021/acs.jpclett.0c01061
- Publication date
- 09-2020
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104017 Physical chemistry, 103018 Materials physics
- Keywords
- ASJC Scopus subject areas
- Materials Science(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/onthefly-active-learning-of-interatomic-potentials-for-largescale-atomistic-simulations(ca40d913-227e-41e1-9314-c7d500f0d218).html