ADF®: Amsterdam Density Functional software

ADF has a 30-year track record as a premium-quality quantum chemistry software package based on Density Functional Theory (DFT). It consists of

• the molecular DFT program ADF
• the periodic DFT program BAND
• the post-ADF COSMO-RS program for thermodynamics of liquids
• The ReaxFF program for modeling chemical reactions

ADF and BAND can be applied to all elements in the periodic table, to molecules in the gas phase, in solvents, and on (metal) surfaces. ADF excels at hard problems in:

• spectroscopy
• structure and reactivity
• chemical analysis
• transition metals and heavy elements
• environment effects (solvents, proteins)

ADF has an excellent Graphical User Interface (GUI) and works in parallel out-of-the-box on Windows, Mac, and Linux/UNIX.

Our software is used in academia, government research labs, and world-leading companies in fields such as the (petro)chemical, automotive, pharmaceutical, and electronics industries.

More about our programs...

Recent high-impact publications

Demonstration and tutorial videos

Relativistic spectroscopic properties for molecules with many heavy elements

Accurate molecule-surface studies: CO on four-layer platinum slab