Quantum Espresso
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(only showing first 100 items - show all)- Mathematical modeling of semiconductor quantum dots based on the nonparabolic effective-mass approximation
- \textsc{Gibbs2}: A new version of the quasi-harmonic model code. I. Robust treatment of the static data
- AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals
- Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets
- SALMON
- AMULET
- Questaal
- SSSP
- Electronic structure packages: two implementations of the projector augmented wave (PAW) formalism
- Numerical methods for Kohn–Sham density functional theory
- Stability and high-temperature superconductivity in hydrogenated chlorine
- Treecode-accelerated Green iteration for Kohn-Sham density functional theory
- An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
- Gaussian basis implementation of the charge patching method
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
- Delocalized nonlinear vibrational modes in fcc metals
- Open-source projects for autonomous robotics and systems: a survey
- Discrete kernel functions for fcc crystals within Eringen's nonlocal theory of elasticity
- Variational formulation for Wannier functions with entangled band structure
- Quantum transport in disordered systems under magnetic fields: a study based on operator algebras
- Implementation of the projector augmented-wave method: the use of atomic datasets in the standard PAW-XML format
- grasp2k
- Plato
- Wannier90
- GULP
- CONQUEST
- GAMESS
- ONETEP
- BLOPEX
- FEAST
- PROFESS
- HYBRJ
- WIEN2k
- LAMMPS
- EPW
- ABINIT
- SIESTA
- GAUSSIAN
- NWChem
- GPAW
- KSSOLV
- Libxc
- turboTDDFT
- ALPS
- MOPAC
- Molecubes
- GAMESS-UK
- MathLibre
- OCTOPUS
- DFTB+
- OpenMx
- Dftatom
- Gibbs2
- Runwien
- PHON
- BigDFT
- CIF2Cell
- FFTPACK
- FreeON
- Lightspeed
- XCrySDen
- OpenUH
- EasyMesh
- TraceMIN
- CU2CL
- Nanos++
- S/PHI/nX
- spammpack
- TASCEL
- Avogadro
- CP2K
- pyFFTW
- ISOTROPY
- iQIST
- OptaDOS
- XtalOpt
- BerkeleyGW
- ShengBTE
- fhi98PP
- woptic
- GPAW
- PARSEC
- CASTEP
- ClusterES
- ELPA
- RESCU
- Qbox
- turboTDDFT 2.0
- Kwant
- Open Babel
- a-TRLan
- TRIQS
- Spglib
- VASP
- TurboEELS
- PythTB
- Bilbao Crystallography Server
- ruamel.yaml
- WannierTools
- Z2pack
This page was built for software: Quantum Espresso
