The following pages link to Quantum Espresso (Q18263):
Displaying 50 items.
- \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction (Q310608) (← links)
- ShengBTE: a solver of the Boltzmann transport equation for phonons (Q339323) (← links)
- Linear response eigenvalue problem solved by extended locally optimal preconditioned conjugate gradient methods (Q341304) (← links)
- Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (Q347712) (← links)
- A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix (Q349770) (← links)
- A block Chebyshev-Davidson method for linear response eigenvalue problems (Q503482) (← links)
- TurboEELS -- a code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory (Q525664) (← links)
- Finite-temperature orbital-free DFT molecular dynamics: coupling profess and quantum espresso (Q525743) (← links)
- \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction (Q537016) (← links)
- EPW: a program for calculating the electron-phonon coupling using maximally localized Wannier functions (Q546804) (← links)
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism (Q548943) (← links)
- Gaussian basis implementation of the charge patching method (Q725444) (← links)
- Numerical integration for ab initio many-electron self energy calculations within the GW approximation (Q729104) (← links)
- A spectral scheme for Kohn-Sham density functional theory of clusters (Q729158) (← links)
- Stability and high-temperature superconductivity in hydrogenated chlorine (Q1621518) (← links)
- A block Lanczos method for the linear response eigenvalue problem (Q1744306) (← links)
- \textsc{Gibbs2}: A new version of the quasi-harmonic model code. I. Robust treatment of the static data (Q1943189) (← links)
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory (Q1943198) (← links)
- Discrete kernel functions for fcc crystals within Eringen's nonlocal theory of elasticity (Q2028442) (← links)
- Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets (Q2100565) (← links)
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory (Q2124890) (← links)
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← links)
- Delocalized nonlinear vibrational modes in fcc metals (Q2247048) (← links)
- Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation (Q2275566) (← links)
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory (Q2679442) (← links)
- Learning bounds for quantum circuits in the agnostic setting (Q2685576) (← links)
- Numerical stability and efficiency of response property calculations in density functional theory (Q2689099) (← links)
- Construction of maximally-localized Wannier functions using crystal symmetry (Q2692423) (← links)
- Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals (Q2692458) (← links)
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems (Q2696541) (← links)
- Scalable GW software for quasiparticle properties using openatom (Q2696548) (← links)
- \texttt{HP} -- a code for the calculation of Hubbard parameters using density-functional perturbation theory (Q2700769) (← links)
- Mathematical modeling of semiconductor quantum dots based on the nonparabolic effective-mass approximation (Q2852189) (← links)
- Quantum Transport in Disordered Systems Under Magnetic Fields: A Study Based on Operator Algebras (Q2854209) (← links)
- Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory (Q2870691) (← links)
- COUNTDOWN: A Run-Time Library for Performance-Neutral Energy Saving in MPI Applications (Q3389829) (← links)
- Solvers for $\mathcal{O} (N)$ Electronic Structure in the Strong Scaling Limit (Q3464425) (← links)
- Computing Localized Representations of the Kohn--Sham Subspace Via Randomization and Refinement (Q4597613) (← links)
- Globally Constructed Adaptive Local Basis Set for Spectral Projectors of Second Order Differential Operators (Q4627445) (← links)
- Variational Formulation for Wannier Functions with Entangled Band Structure (Q4627449) (← links)
- Disentanglement via Entanglement: A Unified Method for Wannier Localization (Q4689156) (← links)
- Open-source projects for autonomous robotics and systems: A survey (Q5082424) (← links)
- <i>AFLOW-SYM</i>: platform for the complete, automatic and self-consistent symmetry analysis of crystals (Q5127409) (← links)
- Deep Potential: A General Representation of a Many-Body Potential Energy Surface (Q5159341) (← links)
- Implementation of the Projector Augmented-Wave Method: The Use of Atomic Datasets in the Standard PAW-XML Format (Q5161696) (← links)
- Thick restarting the weighted harmonic Golub-Kahan-Lanczos algorithm for the linear response eigenvalue problem (Q5218406) (← links)
- Numerical methods for Kohn–Sham density functional theory (Q5230523) (← links)
- The Eigenvalues Slicing Library (EVSL): Algorithms, Implementation, and Software (Q5230632) (← links)
- Structured Quasi-Newton Methods for Optimization with Orthogonality Constraints (Q5230652) (← links)
- Numerical construction of Wannier functions through homotopy (Q5379348) (← links)
