software QMLearn Quantum Machine Learning by reduced density matrices DFTpy Density Functional Theory with Python QEpy Quantum ESPRESSO in Python eDFTpy Embedding & Multiscale Modeling in Python method SPAI A symmetry-orientated divide-and-conquer method for crystal structure prediction OE-SCF Efficient DFT Solver for Nanoscale Simulations and Beyond revHC Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces
