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Erratum: "An accurate and transferable machine learning potential for carbon" [J. Chem. Phys. 153, 034702 (2020)].
- Source :
-
Journal of Chemical Physics . 4/21/2022, Vol. 156 Issue 15, p1-2. 2p. - Publication Year :
- 2022
-
Abstract
- Prompted by this observation, the reference dataset used to fit the GAP-20 model was recomputed, using DFT calculations with moreconsistent reciprocal-space sampling than was used in the original training data. (b) bcc atomization energy for updated GAP-20 model (GAP-20U); the better regularization of the model reduces the magnitude of the fluctuations, and the bcc atomization energy remains high. (a) bcc atomization energy for the original GAP-20 model, showing a bcc carbon minimum below the atomization energy of graphite. [Extracted from the article]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 156
- Issue :
- 15
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 156474524
- Full Text :
- https://doi.org/10.1063/5.0091698