Loew, Antoine https://orcid.org/0009-0008-5018-4895
Sun, Dewen https://orcid.org/0009-0003-3487-5593
Wang, Hai-Chen https://orcid.org/0000-0002-2892-5879
Botti, Silvana https://orcid.org/0000-0002-4920-2370
Marques, Miguel A. L. https://orcid.org/0000-0003-0170-8222
Funding for this research was provided by:
European Union (n.101073486, n.101073486)
Deutsche Forschungsgemeinschaft (BO4280/11-1, BO4280/11-1)
NHR Centre PC2
Article History
Received: 10 January 2025
Accepted: 8 May 2025
First Online: 12 June 2025
Competing interests
: S.B. declares to be an Associate Editor for npj Computational Materials. This role has not influenced the peer review or editorial process for this manuscript, which has been handled independently according to the journal’s standard procedures for manuscripts with editorial board member authorship.