ONETEP
From MaRDI portal
Software:15789
swMATH3256MaRDI QIDQ15789FDOQ15789
Author name not available (Why is that?)
Cited In (16)
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
- Numerical methods for Kohn–Sham density functional theory
- Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators
- A variational framework for spectral approximations of Kohn-Sham density functional theory
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
- An Adaptive Multiscale Approach for Electronic Structure Methods
- Fast iterative interior eigensolver for millions of atoms
- Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
- Non-periodic finite-element formulation of Kohn-Sham density functional theory
- Non-periodic finite-element formulation of orbital-free density functional theory
- Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning
- Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit
This page was built for software: ONETEP