As devices become smaller, quantum effects come to dominate so completely that one must think in quantum terms from the beginning. Whether one’s concern is device operation (consider tunneling) or device creation (consider EUV exposure of resist), quantum mechanics is essential.
QuantumATK is a multi-scale atomic and electronic modelling package available under license from Synopsys. QuantumATK has its origins in the former QuantumWise, which in turn was based on the Atomistix package. It covers the range of DFT and tight-binding methods for electronic structure calculations, electron transport models with electron-phonon and electron-photon interactions, to force field models for atomic motion.