Advanced Techniques for High-Performance Fock Matrix Construction on GPU Clusters

Documenti analoghi

• Multi-GPU RI-HF Energies and Analytic Gradients $-$ Towards High Throughput Ab Initio Molecular Dynamics
  di: Stocks, Ryan, et al.
  Pubblicazione: (2024)
• Bridging Quantum Chemistry and MaxCut: Classical Performance Guarantees and Quantum Algorithms for the Hartree-Fock Method
  di: Ralli, Alexis, et al.
  Pubblicazione: (2025)
• Introducing GPU-acceleration into the Python-based Simulations of Chemistry Framework
  di: Li, Rui, et al.
  Pubblicazione: (2024)
• Implementation of the multigrid Gaussian-Plane-Wave algorithm with GPU acceleration in PySCF
  di: Li, Rui, et al.
  Pubblicazione: (2026)
• Breaking the Million-Electron and 1 EFLOP/s Barriers: Biomolecular-Scale Ab Initio Molecular Dynamics Using MP2 Potentials
  di: Stocks, Ryan, et al.
  Pubblicazione: (2024)