Making Computational Chemistry Work For You

Advance your chemistry, materials science, and engineering research with the Amsterdam Modeling Suite.
Easy to employ yet powerful computational chemistry tools, with support from our experts.

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products in AMS

Whether you research spectroscopic properties, chemical processes, or advanced materials, we have the right tools for you. The Amsterdam Modeling Suite (AMS) provides a comprehensive set of modules for computational chemistry and materials science, from quantum mechanics to fluid thermodynamics.

Try the complete Amsterdam Modeling Suite for 30 days for free. Enjoy expert technical support from our developers, also during your evaluation. Discover how the whole suite helps to advance your research, or just  license the modules you need most.

Modules in the Amsterdam Modeling Suite


A powerful density functional theory program for molecules, particularly strong in spectroscopy and inorganic chemistry. Learn more about ADF.

Tutorials | Manual | FAQApplications


A very accurate periodic density functional theory program for condensed matter, including bulk, surfaces, and nanowires. Learn more about BAND.

TutorialsManualFAQ | Applications


Density Functional Tight Binding: fast approximate DFT for molecules, 1D, 2D, and 3D. Learn more about DFTB.

Tutorials | Manual | FAQ | Applications


Fast semi-empirical for molecules and crystals. Learn more about MOPAC.

Tutorials | Manual | FAQ


Reactive force-field for large-scale molecular dynamics simulations with chemical reactions. Learn more about ReaxFF.

Tutorials | Manual | FAQ | Applications


Fluid thermodynamics and other properties from quantum mechanics. Learn more about COSMO-RS.

Tutorials | Manual | FAQ | Applications

The Amsterdam Modeling Suite is used by researchers in companies, government labs, and universities in many different applications. Are you unsure about which modules may be appropriate for your research? Discuss your research question with us!

Other features of the Amsterdam Modeling Suite

The AMS Driver

The powerful AMS Driver is integrated with the BAND, DFTB, MOPAC, and ReaxFF modules.
It helps you explore the potential energy surface of your system, for example through

All features (tasks and properties) can be applied to external programs as well.

Quantum ESPRESSO graphical user interface

The graphical user interface supports setting up, running, and visualizing results for the open-source periodic density functional theory code Quantum ESPRESSO (see tutorials), which uses plane-wave basis sets and pseudopotentials. The interface to Quantum ESPRESSO is provided at no extra charge.

VASP graphical user interface

Simple support is provided for the commercial VASP code. You need to provide your own binary and VASP license.