ADF is our most popular computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT).
or explore the ADF Modeling Suite
"What I really like about ADF is that the programs were clearly written by chemists for dealing with real chemical problems. A great suite of programs!"
Roald Hoffmann, Nobel Laureate
Key concepts: heavy elements, inorganic chemistry, Reactivity, Relativistic DFT
Key concepts: charge transfer, Charge Transport, materials science, organic electronics
Key concepts: bonding analysis, catalysis, oil & gas