TY - RPRT TI - GradDFT. A software library for machine learning enhanced density functional theory AU - M. Casares, Pablo (ORCID:0000000155009115) AU - Baker, Jack (ORCID:0000000166351397) AU - Medvidović, Matija (ORCID:0000000167700341) AU - Reis, Roberto (ORCID:0000000260116078) AU - Arrazola, Juan (ORCID:0000000206199650) PY - 2024 DO - 10.1063/5.0181037 UR - https://www.osti.gov/biblio/2582129 ID - 2582129 ER -