Making Computational Chemistry Work For You

Chemists, materials scientists and engineers use the ADF Modeling Suite to tackle tough research problems.
Easy to employ yet powerful computational chemistry tools, with support from our experts.

See Application Areas
or try out the ADF Modeling Suite yourself

ADF Modeling Suite

Our powerful molecular DFT code ADF is used in many areas of chemistry and materials science. ADF is particularly strong in molecular properties and inorganic chemistry.

The periodic DFT code BAND shares a lot of functionality with ADF. Slabs are treated as real 2D systems, and nanotubes with proper 1D periodicity.

DFTB and MOPAC are fast approximate methods to study large molecules and big periodic systems, employing DFT-based and semi-empirical data, respectively.

Reaction dynamics in large complex systems can be studied with bond order based ReaxFF.

COSMO-RS uses quantum mechanical data from ADF to predict thermodynamic properties of solutions and mixtures (LogP, VLE, pKa, …)

The passionate scientists at SCM are committed to make computational chemistry work for you. The ADF Modeling Suite offers an easy integrated graphical interface to all our powerful computational chemistry engines, ranging from DFT to DFTB to reactive MD and fluid thermodynamics.

Whether you are an enthusiastic computational chemistry teacher, an academic scrutinizing the intricacies of chemical bonding, or an industrial researcher designing the next OLED materials, we have the tools for you. Browse our different modules through the links below, have a look at the scientific publications citing ADF, or see specific capabilities per research area.