The Amsterdam Density Functional (ADF) software package is used by both industrial and academic researchers worldwide in computational quantum chemistry. It is based on Density Functional Theory, the most popular method for electronic structure calculations. ADF can be applied to molecules in the gas phase, and in a solvent or a protein. The related program BAND treats periodic systems, such as (molecules on) surfaces, polymers, and solids. ADF is particularly popular for studying complicated research questions in catalysis, spectroscopy, (bio)inorganic chemistry, heavy element chemistry, surface science, nanoscience and materials science in general.
ADF - the Power Tool for Quantum Chemists:
- Properties and environments for any molecule
- Excels in transition and heavy metal compounds
- Fast, robust, and accurate
- Expert support and active community
- Uses Slater functions, beats Gaussians!
ADF has been developed by Scientific Computing & Modelling NV (SCM) in Amsterdam since the early seventies of the previous century, with significant contributions from academic collaborators elsewhere. SCM is a company split off from the Baerends group in Amsterdam since 1995. The other main ADF development center has always been the Ziegler group in Calgary. Many other academic groups have joined as well.
An ADF/BAND interface is also available in the Fujitsu leading computational chemistry software platform SCIGRESS. The SCIGRESS allows all users to benefit from the capabilities of both programs though a novel and user-friendly graphical interface. SCIGRESS except easy and comfortable access to Amsterdam Density Functional software offers also other computational methods and compute engines.