24 results on '"Pask, John E."'
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2. Kohn–Sham accuracy from orbital-free density functional theory via Δ-machine learning.
3. Soft and transferable pseudopotentials from multi-objective optimization
4. Assessing the source of error in the Thomas–Fermi–von Weizsäcker density functional.
5. GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code.
6. Comparison of ablators for the polar direct drive exploding pusher platform
7. Alternating Anderson–Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems
8. On-the-fly machine learned force fields for the study of warm dense matter: Application to diffusion and viscosity of CH.
9. CONVERGENCE ANALYSIS OF A LOCALLY ACCELERATED PRECONDITIONED STEEPEST DESCENT METHOD FOR HERMITIAN-DEFINITE GENERALIZED EIGENVALUE PROBLEMS
10. SQDFT: Spectral Quadrature method for large-scale parallel [formula omitted] Kohn–Sham calculations at high temperature
11. Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature.
12. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations
13. Spectral Quadrature method for accurate [formula omitted] electronic structure calculations of metals and insulators
14. Anderson acceleration of the Jacobi iterative method: An efficient alternative to Krylov methods for large, sparse linear systems
15. A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix
16. Implementation of Perdew–Zunger self-interaction correction in real space using Fermi–Löwdin orbitals.
17. Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculations.
18. Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations
19. Discrete discontinuous basis projection method for large-scale electronic structure calculations.
20. Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations.
21. <italic>TopoMS</italic>: Comprehensive topological exploration for molecular and condensed‐matter systems.
22. Interactive exploration of atomic trajectories through relative-angle distribution and associated uncertainties.
23. LithiumIon Solvation and Diffusion in Bulk OrganicElectrolytes from First-Principles and Classical Reactive MolecularDynamics.
24. Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations.
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