Density-functional toolkit
Deep neural networks for density functional theory Hamiltonian
Implementation of robust dynamic Hamiltonian Monte Carlo methods
Joint Density Functional Theory
A quantum chemical code based on wave functions and pseudopotentials.
Code for finding phonon nodes using first-principle approach.
Massively parallel software for quantum chemistry calculations
Real Space Multigrid based electronic structure code.
Application for quantum simulation and statistical properties
Input file preparation tool for DFT codes