The computational physics and chemistry communities have implemented these and other QM approaches in various software packages, facilitating discoveries across multiple disciplines. Among the widely used electronic structure codes, ABINIT , BerkeleyGW , BigDFT , CP2K , FHI-aims , NWChemX , Q-Chem , Quantum ESPRESSO (QE) , and VASP have been particularly successful in harnessing HPC advancements for QM calculations, each with unique strengths and target applications. These codes have made significant strides in simulating larger systems, incorporating advanced algorithmic and methodological developments, and enhancing parallel efficiency, particularly on pre-exascale architectures .