ADF

ADF - Amsterdam Density Functional. 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 all-electron basis sets. 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 ADF Modeling Suite.