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GPR_calculator: An On-the-Fly Surrogate Model to Accelerate Massive Nudged Elastic Band Calculations

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Bibliographic Details
Main Authors:	Onyango, Isaac, Kang, Byungkyun, Zhu, Qiang
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
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