Understand and predict chemical properties and reactivity,
with the fast and accurate molecular DFT code ADF.

See Application Areas
or Try the Amsterdam Modeling Suite!


Powerful DFT software for modeling chemistry

Our flagship computational chemistry program Amsterdam Density Functional (ADF) is particularly strong in understanding and predicting structure, reactivity, and spectra of molecules. DFT calculations are easily prepared and analyzed with our integrated GUI.

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.

ADF is easy to use with parallel binaries, integrated GUI, and supported by experts with decades of experience. The best way to convince yourself is to try out the fully functional Amsterdam Modeling Suite.

Selected features

  • modern xc functionals, including dispersion and range-separated hybrids
  • self-consistent spin-orbit coupling TDDFT
  • charge transfer integrals, NEGF
  • scrutinize chemical bonding interactions
  • Slater-type orbitals: correct nuclear cusp (NMR, EPR)
  • environments: DIM/QM, FDE, COSMO, SM12

See our feature list for more, or contact us if you have any questions or requests.

When to use?

Our flagship program ADF has a 40-year track record in handling the most difficult problems in all areas of chemistry and materials science, see the specific capabilities per research area.

The SCM team is always happy to discuss whether our computational chemistry software can meet your modeling needs.

Amsterdam Modeling Suite

Why not explore the whole Amsterdam Modeling Suite yourself?
Besides our powerful molecular DFT code, you can also evaluate the periodic DFT code BAND, the fast & approximate DFTB module, reactive molecular dynamics with ReaxFF, and fluid thermodynamics with COSMO-RS. All installing from a single binary with an excellent integrated GUI.