Atomistic potential descriptors and structures of water and silicon phases

  1. Kývala, Lukáš 1
  2. Montero de Hijes, Pablo 1
  3. Dellago, Christoph 1
  1. 1 University of Vienna
    info

    University of Vienna

    Viena, Austria

    ROR https://ror.org/03prydq77

Argitaratzaile: Zenodo

Argitalpen urtea: 2024

Mota: Dataset

CC BY 4.0

DOI: 10.5281/ZENODO.12744559 lock_openSarbide irekia editor

Laburpena

Supportive material to manuscript: Unsupervised identification of local atomic environments from atomistic potential descriptors (arxiv.org: 2405.01320)Descriptors files have format:#AtomIndex #StructureIndex #Descriptors...