"Materials Learning Algorithms (MALA): Scalable machine learning for ..."

Attila Cangi et al. (2025)

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DOI: 10.1016/J.CPC.2025.109654

access: open

type: Journal Article

metadata version: 2025-08-05

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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 A. Modine, Aidan P. Thompson, Sivasankaran Rajamanickam:
Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations. Comput. Phys. Commun. 314: 109654 (2025)

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