Towards exascale fully relativistic pseudopotential density functional theory calculations enabled by mixed-precision computation and compressed-communication using residual based subspace iteration

Documenti analoghi

• Residual-based Chebyshev filtered subspace iteration for sparse Hermitian eigenvalue problems tolerant to inexact matrix-vector products
  di: Kodali, Nikhil, et al.
  Pubblicazione: (2025)
• Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory
  di: Kodali, Nikhil, et al.
  Pubblicazione: (2024)
• Fast hardware-aware matrix-free algorithm for higher-order finite-element discretized matrix multivector products on distributed systems
  di: Panigrahi, Gourab, et al.
  Pubblicazione: (2022)
• Fast and scalable finite-element based approach for density functional theory calculations using projector-augmented wave method
  di: Ramakrishnan, Kartick, et al.
  Pubblicazione: (2024)
• Accelerating finite-element-based projector augmented-wave density functional theory calculations with scalable GPU-centric computational methods
  di: Ramakrishnan, Kartick, et al.
  Pubblicazione: (2026)