An Open-Source Visualization Tool for VASP

A DFT Exchange and Correlation Functionals Library

A Solver for the Kohn-Sham Equations on Regular Lattices

A Computational Chemistry program for Molecular Modeling and Simulation

BigDFT is a DFT program designed to compute Electronic Structures in Parallel

Materials Modeling and Electronic Structure Calculations

The Vienna Ab initio Simulation Package is a computer program for atomic scale materials modelling.

The Natural Bond Orbital (NBO) program NBO 6.0 is a discovery tool for chemical insights from complex wavefunctions.

Program for performing a variety of types of simulations on materials

Nanoscale electronic-structure calculations and materials modeling