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

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

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