This Innovation Study aims to empower the computation of systems containing up to 10,000 atoms by focusing on Moiré superlattices. Grounded in the standard of GW methods, Exa4GW aims to enhence the capabilities of band structures and alignments at materials interfaces. Exa4GW focuses on reducing the computational prefactor through an efficient treatment of divergent terms at the Γ-point in the Brillouin zone. The research in this study will prioritize working with leading LBS (Low-scaling and … Continue reading Exa4GW