Dwaipayan Paul*, Elena Trukhan†, and Nakib H. Protik‡
Jesús Carrete, Pablo García-Fernández, Myrta Grüning, Xu He, Mike N. Pionteck, Nakib H. Protik, Milica Todorović, Atsushi Togo, Xing Wang, Roberta Poloni, Miguel Pruneda, and Antonio Cammarata
Computational Materials Science 273 114900 (2026)