GPU Acceleration of Numerical Atomic Orbitals-Based Density Functional Theory Algorithms within the ABACUS package

Documenti analoghi

• A Unified Heterogeneous Implementation of Numerical Atomic Orbitals-Based Real-Time TDDFT within the ABACUS Package
  di: Bao, Taoni, et al.
  Pubblicazione: (2026)
• ABACUS: An Electronic Structure Analysis Package for the AI Era
  di: Zhou, Weiqing, et al.
  Pubblicazione: (2025)
• Hybrid Gauge Approach for Accurate Real-Time TDDFT Simulations with Numerical Atomic Orbitals
  di: Zhao, Haotian, et al.
  Pubblicazione: (2025)
• Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals
  di: Box, Connor L., et al.
  Pubblicazione: (2025)
• LibRPA: A Software Package for Low-scaling First-principles Calculations of Random Phase Approximation Electron Correlation Energy Based on Numerical Atomic Orbitals
  di: Shi, Rong, et al.
  Pubblicazione: (2024)