Scaling Correlated Fragment Molecular Orbital Calculations on Summit. - Giuseppe M. J. Barca; Calum Snowdon; Jorge L. Galvez Vallejo; Fazeleh S. Kazemian; Alistair P. Rendell; Mark S. Gordon (SC, 2022)

High-Performance, Accurate Large-Scale Quantum Chemistry Calculations on GPU Supercomputers using Coulomb-Perturbed Fragmentation. - Fazeleh S. Kazemian; Jorge L. Galvez Vallejo; Giuseppe M. J. Barca (ICPP, 2024)