Discontinuous Galerkin Hartree-Fock: Predicting Accurate Electronic Structures of Complex Metallic Systems with Milions of Atoms on Exascale Sunway Supercomputer

Wei Hu

http://www.birs.ca/events/2024/5-day-workshops/24w5171/videos/watch/202409101415-Hu.html

Birs- 24w5171: Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials