#electronic-structure (5 Repositories)
Ranked open-source repositories tagged with #electronic-structure, scored by pull request acceptance likelihood and maintainer engagement velocity.
51.0%
2.3h
5 repositories tagged #electronic-structure
QMCPACK/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
joselado/pyqula
Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.
JuliaMolSim/DFTK.jl
Density-functional toolkit
quantumlib/OpenFermion
Python package for compiling and analyzing quantum algorithms to simulate electronic structures.
f-fathurrahman/PWDFT.jl
Plane wave density functional theory using Julia programming language