Local invertibility and sensitivity of atomic structure-feature mappings [version 1; peer review: 2 approved]

por Sergey N. Pozdnyakov, Liwei Zhang, Christoph Ortner, Gábor Csányi, Michele Ceriotti
Publicado 2021

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

por Yury Lysogorskiy, Cas van der Oord, Anton Bochkarev, Sarath Menon, Matteo Rinaldi, Thomas Hammerschmidt, Matous Mrovec, Aidan Thompson, Gábor Csányi, Christoph Ortner, Ralf Drautz
Publicado 2021