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Title: Efficient catalyst screening using graph neural networks to predict strain effects on adsorption energy
Structure-aware machine learning captures strain impact on molecule-surface interactions for rapid catalyst evaluation.  more » « less
Award ID(s):
1720530
NSF-PAR ID:
10414891
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Science Advances
Volume:
8
Issue:
47
ISSN:
2375-2548
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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