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Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields (2023)

First Author: Schaaf L

Attributed to: The UK Car-Parrinello HEC Consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.48550/arxiv.2301.09931

Publication URI: https://arxiv.org/abs/2301.09931

Type: Preprint