Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60

Heikki Muhli
, Xi Chen
, Albert P. Bartók
, Patricia Hernández-León
, Gábor Csányi
, Tapio Ala-Nissila
, Miguel A. Caro

Research output: Contribution to journal › Article › Scientific › peer-review

56 Citations (Web of Science)

299 Downloads (Pure)

2 results
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Atomic structures derived from high-temperature and -pressure transformations from C60 fullerenes
Caro, M. A. (Creator), Zenodo, 18 Aug 2022
DOI: 10.5281/zenodo.7006223, https://zenodo.org/record/7006223
Dataset
GAP interatomic potential for C60
Muhli, H. (Creator) & Caro, M. A. (Contributor), Zenodo, 18 Mar 2021
DOI: 10.5281/zenodo.4616343, https://zenodo.org/record/4616343
Dataset