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graph neural network interatomic potential

technology1 mentionslast seen Sep 29, 2026

Machine learning model trained on DFT data for efficient structure relaxations in alloy modeling.

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graph neural network interatomic potentialdepends ondensity-functional theory93% confidence1 source
machine learning accelerated atomistic modelingdepends ongraph neural network interatomic potential92% confidence1 source

graph neural network interatomic potential

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graph neural network interatomic potentialdepends ondensity-functional theory

93% confidence1 supporting mentions

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preprintarXivSep 26, 2026Charting the thermodynamic stability of hybrid perovskite alloys with machine learning
graph neural network interatomic potentials trained on density functional theory data