De Breuck, Pierre-Paul
Wang, Hai-Chen
Rignanese, Gian-Marco
Botti, Silvana
Marques, Miguel A. L.
Article History
Received: 3 September 2025
Accepted: 17 November 2025
First Online: 6 December 2025
Competing interests
: S. Botti serves as an Associate Editor of npj Comput. Mater. but was not involved in the journal’s review or decision process for this manuscript.