Density-functional toolkit
Plane wave density functional theory using Julia programming language
Simulation of quantum systems on a lattice
Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.
Julia bindings to the libxc library for exchange-correlation functionals
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.
High performance Brillouin Zone Meshes
Support for reading and using pseudopotentials in Julia
A Julia toolbox for coding self-consistent field algorithms
ASE-compatible calculator for DFTK
Add a description, image, and links to the electronic-structure topic page so that developers can more easily learn about it.
To associate your repository with the electronic-structure topic, visit your repo's landing page and select "manage topics."