Schade, R., Kenter, T., Elgabarty, H., Lass, M., Kühne, T., &; Plessl, C. (2023). Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. The International Journal of High Performance Computing Applications, Article 109434202311776.https://doi.org/10.1177/10943420231177631