Eitemau Tebyg

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