Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT).
Software for Chemistry & Materials (SCM), formerly known as Scientific Computing & Modelling is a spin-off company from the Baerends group.
ADF excels in spectroscopy, transition metals, and heavy elements problems.
A periodic structure counterpart of ADF named BAND is available to study bulk crystals, polymers, and surfaces.
[2] The Amsterdam Modeling Suite has expanded beyond DFT since 2010, with the semi-empirical MOPAC code, the Quantum ESPRESSO plane wave code, a density-functional based tight binding (DFTB) module, a reactive force field module ReaxFF, and an implementation of Klamt's [3] COSMO-RS method, which also includes COSMO-SAC, UNIFAC, and QSPR.