Towards accurate computational experimentation: machine-learning-driven simulation of nanocarbon synthesis

Search results

• GAP general purpose interatomic potential for iron

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7630368, https://zenodo.org/record/7630369

  Dataset

• General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

  Muhli, H. (Creator) & Caro, M. A. (Creator), Zenodo, 30 Oct 2024

  DOI: 10.5281/zenodo.14013796, https://zenodo.org/records/14013797

  Dataset

• Atomic structures derived from high-temperature and -pressure transformations from C60 fullerenes

  Caro, M. A. (Creator), Zenodo, 2022

  DOI: 10.5281/zenodo.7006223, https://zenodo.org/record/7006223

  Dataset

• GAP interatomic potential for amorphous carbon

  Caro Bayo, M. (Creator), Zenodo, 25 Aug 2020

  DOI: 10.5281/zenodo.4000210

  Dataset

• Iron nanoparticle database

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7632314, https://zenodo.org/record/7632315

  Dataset

• GAP interatomic potential for C60

  Muhli, H. (Creator) & Caro, M. A. (Contributor), Zenodo, 2021

  DOI: 10.5281/zenodo.4616343, https://zenodo.org/record/4616343

  Dataset