@misc{indiciaedd18fcd55945,
  title = {Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations},
  author = {Cangi, Attila [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] (ORCID:000000019162262X) and Fiedler, Lenz [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] and Brzoza, Bartosz [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] and Shah, Karan [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] and Callow, Timothy J. [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] and Kotik, Daniel [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany); Center for Advanced Systems Understanding, Görlitz (Germany)] and Schmerler, Steve [Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany)] and Barry, Matthew Campbell [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000319321456) and Goff, James Michael [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] and Rohskopf, Andrew Dale [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] and Vogel, Dayton Jonathan [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] and Modine, Normand A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] and Thompson, Aidan P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000203249114) and Rajamanickam, Sivasankaran [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)] (ORCID:000000025854409X)},
  year = {2025},
  doi = {10.1016/j.cpc.2025.109654},
  url = {https://www.osti.gov/biblio/2583701},
  note = {Source identifier: 2583701}
}