The following pages link to ONETEP (Q15789):
Displayed 16 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)
- Fast iterative interior eigensolver for millions of atoms (Q440633) (← links)
- A mesh-free convex approximation scheme for Kohn-sham density functional theory (Q550951) (← links)
- Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251) (← links)
- Non-periodic finite-element formulation of Kohn-Sham density functional theory (Q989004) (← links)
- Non-periodic finite-element formulation of orbital-free density functional theory (Q1019324) (← links)
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions (Q1038068) (← links)
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations (Q1685442) (← links)
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation (Q2099726) (← links)
- Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit (Q3464425) (← links)
- Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations (Q3561864) (← links)
- Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning (Q4599999) (← links)
- Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators (Q4627445) (← links)
- An Adaptive Multiscale Approach for Electronic Structure Methods (Q4643816) (← links)
- Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)