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Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions

Fuente: arXiv

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Bibliographic Details
Main Authors:	Goswami, Rohit, Masterov, Maxim, Kamath, Satish, Peña-Torres, Alejandro, Jónsson, Hannes
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Machine Learning Computational Physics
Online Access:	Acceder al recurso
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