electronic-structure topic

Molecular Orbital PACkage

openmopac

Fundamental scientific algorithms in Julia

zyth0s

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

santoshkumarradha

Simulation of quantum systems on a lattice

pablosanjose

A massively parallel library for computing the functions of sparse matrices.

william-dawson

The Ghent Quantum Chemistry Package for electronic structure calculations

GQCG

Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2

jarvist

Julia package to compute trap-assisted electron and hole capture in semiconductors

WMD-group

Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.

joselado

Unfolding the band structure of a supercell obtained with VASP

rubel75