physics.chem-ph cs.DC physics.comp-ph
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