Industrial Research

Making Computational Chemistry Work for You

We know time to solution matters. The ADF Modeling Suite runs out of the box in parallel including an excellent integrated GUI and is backed by an expert support team. We continue to improve our software by improving speed, usability and including new functionality. Our goal is to help you tackle your most difficult research problems quickly.

ReaxFF Na graphene battery

From Catalysis to Materials to Pharma

ADF is originally strong in inorganic chemistry and spectroscopy, and as such has been used for many decades in chemical companies involved with catalysis.

Besides the powerful molecular DFT code, the periodic DFT, DFTB and ReaxFF in the ADF Modeling Suite offer unique capabilities for studying materials properties at the atomistic level. Currently ADF is most notably used by researchers developing materials for organic electronics and batteries.

Pharmaceutical and life science companies enjoy our many spectroscopy properties, modeling at various levels of accuracy, as well as our COSMO-RS module for predicting thermodynamic properties of fluids, such as solubilities, partition coefficients, and vapor-liquid equilibria.

Pd catalyzed CO amine coupling

Discuss your science with us

Do you want to know if the ADF Modeling Suite could be a useful research tool for your R&D team?
The best way to convince yourself is to evaluate the fully functional ADF Modeling Suite.

Our developers and technical sales staff have decades of research experience themselves. We are happy to support and assist you also during your one-month free trial. We would also like to learn about your current and feature modeling needs, send us an email to discuss our capabilities or ask for specific features.

Try out ADF and discuss your interests!