A submatrix-based method for approximate matrix function evaluation in the quantum chemistry code CP2K. - Michael Lass; Robert Schade; Thomas D. Kühne; Christian Plessl (SC, 2020)

Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms. - Robert Schade; Tobias Kenter; Hossam Elgabarty; Michael Lass; Ole Schütt; Alfio Lazzaro; Hans Pabst; Stephan Mohr; Jürg Hutter; Thomas D. Kühne; Christian Plessl (CoRR, 2021)

CP2K on the road to exascale. - Thomas D. Kühne; Christian Plessl; Robert Schade; Ole Schütt (CoRR, 2022)

Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. - Robert Schade; Tobias Kenter; Hossam Elgabarty; Michael Lass; Ole Schütt; Alfio Lazzaro; Hans Pabst; Stephan Mohr; Jürg Hutter; Thomas D. Kühne; Christian Plessl (Parallel Comput., 2022)

Computing and Compressing Electron Repulsion Integrals on FPGAs. - Xin Wu; Tobias Kenter; Robert Schade; Thomas D. Kühne; Christian Plessl (FCCM, 2023)

Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics. - Robert Schade; Tobias Kenter; Hossam Elgabarty; Michael Lass; Thomas D. Kühne; Christian Plessl (Int. J. High Perform. Comput. Appl., 2023)

Scalable quantum detector tomography by high-performance computing. - Timon Schapeler; Robert Schade; Michael Lass; Christian Plessl; Tim J. Bartley (CoRR, 2024)

PHOENIX - Paderborn highly optimized and energy efficient solver for two-dimensional nonlinear Schrödinger equations with integrated extensions. - Jan Wingenbach; David Bauch; Xuekai Ma; Robert Schade; Christian Plessl; Stefan Schumacher (Comput. Phys. Commun., 2025)