Cerqueira, Tiago F. T.
Wang, Haichen
Botti, Silvana
Marques, Miguel A. L.
Funding for this research was provided by:
Fundação para a Ciência e Tecnologia (CEECINST/00152/2018/CP1570/CT0006)
Volkswagen Stiftung (dandelion)
Deutsche Forschungsgemeinschaft (BO 4280/11-1)
Article History
Received: 16 June 2025
Accepted: 5 December 2025
First Online: 15 January 2026
Competing interests
: Silvana Botti is an Associate Editor for npj Computational Materials, but was not involved in the editorial review of, or the decision to publish this article. All other authors declare no competing interests.