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Authors
Xia, Yufan https://orcid.org/0000-0002-2949-0563
Thie, Albert https://orcid.org/0000-0003-0978-4588
Soon, Joshua
Barca, Giuseppe M. J. https://orcid.org/0000-0001-5109-4279
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Article History
Received: 3 November 2025
Accepted: 30 April 2026
First Online: 20 May 2026
Competing interests
: Y.X., A.T., and J.S. are employees of QDX Technologies, which is developing the NN-xTB method as part of its computational chemistry platform. G.B. is a co-founder and the Head of Research of QDX Technologies. The authors declare no other competing interests.
