10.60732/b0e39006
URL
Metadata
AgPd_NPJ_2021 Dataset
Conrad W. Rosenbrock,
Konstantin Gubaev,
Alexander V. Shapeev,
Livia B. Pártay,
Noam Bernstein,
Gábor Csányi,
Gus L. W. Hart,
The dataset consists of energies, forces and virials for DFT-VASP-generated Ag-Pd systems. The data was used to fit an active learned dataset which was used to compare MTP- and SOAP-GAP-generated potentials.
