Pages that link to "Item:Q1019324"

The following pages link to Non-periodic finite-element formulation of orbital-free density functional theory (Q1019324):

Displaying 23 items.

• A variational framework for spectral approximations of Kohn-Sham density functional theory (Q291818) (← links)
• Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
• Augmented Lagrangian formulation of orbital-free density functional theory (Q349483) (← links)
• A homogenization analysis of the field theoretic approach to the quasi-continuum method (Q361432) (← links)
• Approximation of the electron density of aluminium clusters in tensor-product format (Q419613) (← links)
• Gradient flows and variational principles for cardiac electrophysiology: toward efficient and robust numerical simulations of the electrical activity of the heart (Q459139) (← links)
• Multi-scale homogenization procedure for continuum-atomistic, thermo-mechanical problems (Q643971) (← links)
• Higher-order finite-difference formulation of periodic orbital-free density functional theory (Q729423) (← links)
• Multi-scale plasticity modeling: coupled discrete dislocation and continuum crystal plasticity (Q732628) (← links)
• NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532) (← links)
• Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
• Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation (Q1019325) (← links)
• Higher-order adaptive finite-element methods for orbital-free density functional theory (Q2446907) (← links)
• \({h-P}\) finite element approximation for full-potential electronic structure calculations (Q2448455) (← links)
• Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature (Q2458611) (← links)
• DFT-FE - a massively parallel adaptive finite-element code for large-scale density functional theory calculations (Q2698744) (← links)
• EXISTENCE AND CONVERGENCE RESULTS FOR THE GALERKIN APPROXIMATION OF AN ELECTRONIC DENSITY FUNCTIONAL (Q3070049) (← links)
• (Q3538692) (← links)
• Finite Element Approximations in Orbital-Free Density Functional Theory (Q4591471) (← links)
• DFT-FE 1.0: a massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization (Q6043077) (← links)
• A finite element configuration interaction method for Wigner localization (Q6107090) (← links)
• Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory (Q6115295) (← links)
• SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140) (← links)