ADF

Overview

ADF (Amsterdam Density Functional) is the flagship molecular density functional program in the Amsterdam Molecule Suite (AMS) from SCM. It is particularly strong in understanding and predicting structure, reactivity (catalysis) and spectra of molecules. Density Functional Theory (DFT) calculations are easily prepared and analyzed with our integrated graphical user interface.

ADF is frequently used for studying transition metal complexes and molecules with heavy atoms, since all elements in the periodic table can be modeled accurately and efficiently with the ZORA relativistic approach and Slater Type orbital (STO) all-electron basis sets. With these features, ADF offers unique capabilities to predict molecular properties of nanoparticles and organic electronics materials.

Version

• ADF 2019
• ADF 2020

License requirements

The license is for academic usage only. To be granted access you must confirm by request to join software group on https://my.nci.org.au that you will use ADF only for academic research.
Note that the NCI licence includes the modules for ADF and the AMS GUIs. Users who would like to use other modules such as BAND or COSMO-RS it is possible to purchase individual group Academic licences from SCM for use in conjunction with our licence.

CSIRO users should contact SCM to arrange their license agreement.

Documentation

Tutorials, manual and FAQ can be found at the SCM website.