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From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures
4 February 2026
Ryan Liu
Eric Qu
Tobias Kreiman
Samuel M. Blau
Aditi S. Krishnapriyan
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"From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures"
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