Video From 24w5171: Towards Routine Orbital-free Large-Scale Quantum-Mechanical Modelling of Materials
Wei Hu, University of Science and Technology of China
Tuesday, September 10, 2024 14:15 - 14:45
Discontinuous Galerkin Hartree-Fock: Predicting Accurate Electronic Structures of Complex Metallic Systems with Milions of Atoms on Exascale Sunway Supercomputer