Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture

Documenti analoghi

• Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods
  di: Jahani, Seyedehdelaram, et al.
  Pubblicazione: (2025)
• Efficient and reliable modeling of large $π$-electron systems with the Pariser--Parr--Pople Hamiltonian and pCCD-based methods
  di: Karimi, Zahra, et al.
  Pubblicazione: (2025)
• Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited state Properties
  di: Ahmadkhani, Somayeh, et al.
  Pubblicazione: (2024)
• torchosr -- a PyTorch extension package for Open Set Recognition models evaluation in Python
  di: Komorniczak, Joanna, et al.
  Pubblicazione: (2023)
• DMFF in PyTorch backend
  di: Zhu, Jia-Xin, et al.
  Pubblicazione: (2026)