Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials
- Author(s)
- Ryosuke Jinnouchi, Ferenc Karsai, Carla Verdi, Ryoji Asahi, Georg Kresse
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Toyota Central R&D Labs., Inc., VASP Software GmbH, Universität Wien
- Journal
- Journal of Chemical Physics
- Volume
- 152
- No. of pages
- 9
- ISSN
- 0021-9606
- DOI
- https://doi.org/10.1063/5.0009491
- Publication date
- 06-2020
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 102019 Machine learning, 103006 Chemical physics
- Keywords
- ASJC Scopus subject areas
- Physics and Astronomy(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/descriptors-representing-two-and-threebody-atomic-distributions-and-their-effects-on-the-accuracy-of-machinelearned-interatomic-potentials(bceadf0f-b395-4c71-a959-10a66ef969e7).html