ADF has a 30-year track record as a premium-quality quantum chemistry software package based on Density Functional Theory (DFT). It consists of
ADF and BAND can be applied to all elements in the periodic table, to molecules in the gas phase, in solvents, and on (metal) surfaces. ADF excels at hard problems in:
ADF has an excellent Graphical User Interface (GUI) and works in parallel out-of-the-box on Windows, Mac, and Linux/UNIX.
Our software is used in academia, government research labs, and world-leading companies in fields such as the (petro)chemical, automotive, pharmaceutical, and electronics industries.

Relativistic NMR calculation for a large cluster with heavy elements

Dye-sensitized solar cells: solvated N3 Ruthenium complex on a TiO2 surface




