@misc{indiciaed737e6186eff, title = {GradDFT. A software library for machine learning enhanced density functional theory}, author = {M. Casares, Pablo (ORCID:0000000155009115) and Baker, Jack (ORCID:0000000166351397) and Medvidović, Matija (ORCID:0000000167700341) and Reis, Roberto (ORCID:0000000260116078) and Arrazola, Juan (ORCID:0000000206199650)}, year = {2024}, doi = {10.1063/5.0181037}, url = {https://www.osti.gov/biblio/2582129}, note = {Source identifier: 2582129} }