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Title: Incorporation of density scaling constraint in density functional design via contrastive representation learning
We demonstrate that contrastive representation learning is a computationally efficient and flexible method to incorporate physical constraints, especially those defined by equalities, in machine-learning-based density functional design.  more » « less
Award ID(s):
2344734
PAR ID:
10501610
Author(s) / Creator(s):
; ; ; ; ; ; ; ; ;
Publisher / Repository:
NSF-PAR
Date Published:
Journal Name:
Digital Discovery
Volume:
2
Issue:
5
ISSN:
2635-098X
Page Range / eLocation ID:
1404 to 1413
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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