From Evaluation to Design: Using Potential Energy Surface Smoothness Metrics to Guide Machine Learning Interatomic Potential Architectures

Fuente: arXiv

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Bibliographic Details
Main Authors:	Liu, Ryan, Qu, Eric, Kreiman, Tobias, Blau, Samuel M., Krishnapriyan, Aditi S.
Format:	Preprint
Published:	2026
Subjects:	Machine Learning Materials Science Artificial Intelligence Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2602.04861