Systematic Fine-Tuning of MACE Interatomic Potentials for Catalysis

Fuente: arXiv

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Bibliographic Details
Main Authors:	Karimitari, Nima, Clary, Jacob, Vigil-Fowler, Derek, Sundararaman, Ravishankar, Csányi, Gábor, Sutton, Christopher
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2605.09394