The following pages link to SIESTA (Q18087):
Displayed 25 items.
- \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction (Q310608) (← links)
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory (Q348135) (← links)
- Numerical study of the plasma tearing instability on the resistive time scale (Q349753) (← 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)
- USPEX-evolutionary crystal structure prediction (Q709941) (← links)
- Rapid iterative method for electronic-structure eigenproblems using localised basis functions (Q710323) (← links)
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation (Q728808) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← 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)
- Two-center overlap integrals, three dimensional adaptive integration, and prolate ellipsoidal coordinates (Q1028017) (← links)
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions (Q1038068) (← links)
- Improved recursive Green's function formalism for quasi one-dimensional systems with realistic defects (Q1685276) (← 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)
- \textsc{XtalOpt} version r10: an open-source evolutionary algorithm for crystal structure prediction (Q1738917) (← links)
- Trends in the formation of aggregates and crystals from M\@Si\(_{16}\) clusters: a study from first principle calculations (Q1959272) (← links)
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation (Q2099726) (← links)
- Classification and prediction of bulk densities of states and chemical attributes with machine learning techniques (Q2246061) (← links)
- Localized density matrix minimization and linear-scaling algorithms (Q2375178) (← links)
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← links)
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems (Q2696541) (← links)
- Computational Materials Science and Engineering (Q3300493) (← links)
- Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators (Q4627445) (← links)
- A Shift Selection Strategy for Parallel Shift-invert Spectrum Slicing in Symmetric Self-consistent Eigenvalue Computation (Q5066581) (← links)