An accurate and transferable machine learning potential for carbon.
Rowe P, Deringer VL, Gasparotto P, Csányi G, Michaelides A.
Rowe P, et al. Among authors: csanyi g.
J Chem Phys. 2020 Jul 21;153(3):034702. doi: 10.1063/5.0005084.
J Chem Phys. 2020.
PMID: 32716159
The present work demonstrates the ability to combine, in the same ML model, the previously attained flexibility required for amorphous carbon [V. L. Deringer and G. Csanyi, Phys. Rev. B 95, 094203 (2017)] with the high numerical accuracy necessary for crystalline gr …
The present work demonstrates the ability to combine, in the same ML model, the previously attained flexibility required for amorphous carbo …