Constrained Diffusion for Accelerated Structure Relaxation of Inorganic Solids with Point Defects

Fuente: arXiv

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Bibliographic Details
Main Authors:	Cui, Jingyi, Christopher, Jacob K., Biswas, Ankita, Balachandran, Prasanna V., Fioretto, Ferdinando
Format:	Preprint
Published:	2026
Subjects:	Materials Science Artificial Intelligence Machine Learning
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2602.19153