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Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations

Attila Cangi; Lenz Fiedler; Bartosz Brzoza; Karan Shah; Timothy J. Callow; Daniel Kotik; Steve Schmerler; Matthew C. Barry; James M. Goff; Andrew Rohskopf; Dayton J. Vogel; Normand Modine; Aidan P. Thompson; Sivasankaran Rajamanickam
Computer Physics Communications · Vol. 314 · pp. 109654 · 2025
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Bibliographic Information

JournalComputer Physics Communications
PublisherNorth-Holland
Publication Date2025-09-01
Publication Year2025
Volume314
Pages109654
Document TypeJournal Article
eISSN0010-4655
DOI10.1016/j.cpc.2025.109654
SubjectEarth and Planetary Sciences

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NARA Access Coverage1969-07-01~Current
Journal Homepagehttps://www.sciencedirect.com/science/journal/00104655
Publisher PageOpen Publisher Page
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