NeuralNEB—neural networks can find reaction paths fast

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Authors: Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Peter Bjørn Jørgensen; Ole Winther

Journal title: Machine Learning: Science and Technology

Journal number: 3

Journal publisher: IOP Publishing

Published year: 2022

Published pages: 045022

DOI identifier: 10.1088/2632-2153/aca23e

ISSN: 2632-2153