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A Gaussian Process Regression weights file for the Zundel cation - MaRDI portal

A Gaussian Process Regression weights file for the Zundel cation

From MaRDI portal
Dataset:6724615



DOI10.5281/zenodo.7927211Zenodo7927211MaRDI QIDQ6724615

Dataset published at Zenodo repository.

Max Veit, Michele Ceriotti

Publication date: 11 May 2023

Copyright license: Creative Commons Attribution 4.0 International



Description

Trained weight files for a kernel model of the potential energy of the Zundel cation, to be used in an example of thei-PIinterface of thelibrascalML library





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