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: batteries, Charge Transport, Dispersion, ReaxFF
Key concepts: catalysis, Dispersion, heavy elements, inorganic chemistry, pharma, Reactivity, Relativistic DFT
Key concepts: heavy elements, inorganic chemistry, Reactivity, Relativistic DFT