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
