Correction to: npj Computational Materials https://doi.org/10.1038/s41524-024-01460-x, published online 19 December 2024

In this article, the affiliation ‘Quantinuum, Terrington House, 13–15 Hills Road, Cambridge, UK’ for Author Michal Krompiec and the affiliation ‘BMW Group, Munich, Germany’ for Author Elvira Shishenina were omitted. Additionally, the affiliation ‘Fujitsu Research of Europe, Slough, UK’ for Author Michal Krompiec. The original article has been corrected.”