Enabling large-scale correlated electronic structure calculations: scaling the RI-MP2 method on summit. - Giuseppe M. J. Barca; Jorge L. Galvez Vallejo; David L. Poole; Melisa Alkan; Ryan Stocks; Alistair P. Rendell; Mark S. Gordon (SC, 2021)

Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials. - Ryan Stocks; Jorge L. Galvez Vallejo; Fiona C. Y. Yu; Calum Snowdon; Elise Palethorpe; Jakub Kurzak; Dmytro Bykov; Giuseppe M. J. Barca (SC, 2024)