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Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs.

Authors :
Habib, Adela
Finkelstein, Joshua
Niklasson, Anders M. N.
Source :
Journal of Chemical Theory & Computation; 8/27/2024, Vol. 20 Issue 16, p7102-7112, 11p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
16
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
179292841
Full Text :
https://doi.org/10.1021/acs.jctc.4c00584