GPU acceleration of hybrid functional calculations in the SPARC electronic structure code

Documenti analoghi

• Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
  di: Sharma, Abhiraj, et al.
  Pubblicazione: (2026)
• Spectral scheme for atomic structure calculations in density functional theory
  di: Bhowmik, Sayan, et al.
  Pubblicazione: (2024)
• Efficient real space formalism for hybrid density functionals
  di: Jing, Xin, et al.
  Pubblicazione: (2024)
• Cyclic and helical symmetry-informed machine learned force fields: Application to lattice vibrations in carbon nanotubes
  di: Sharma, Abhiraj, et al.
  Pubblicazione: (2024)
• Version 2.0.0 -- SPARC: Simulation Package for Ab-initio Real-space Calculations
  di: Zhang, Boqin, et al.
  Pubblicazione: (2023)