Efficient Grand Canonical Global Optimization with On-the-fly-trained Machine-learning Interatomic Potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Dominguez, Jon Eunan Quinlivan, Christiansen, Mads-Peter Verner, Neyman, Konstantin M., Hammer, Bøjrk, Bruix, Albert
Format:	Preprint
Published:	2025
Subjects:	Materials Science Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2509.19968