Key benefits ADF modeling suite

One-stop modeling shop

Excellent software suite for tackling the most challenging problems in materials science and chemistry. Easy set up and analysis with GUI.

Fast computational toolbox

Working with hardware vendors, we optimize our codes for desktop computers and parallel supercomputers. Latest algorithms.

Heavy elements & spectroscopy

High-quality all-electron Slater basis sets for all elements. Accurate relativity. Many spectroscopic properties, from NMR to X-ray.

Understand chemical bonding

Unique insight in chemical bonds with many chemical analysis tools. Balanced charge decomposition schemes and density analysis tools.

Hassle-free installation, free trial

With parallel binaries for all popular platforms, the entire ADF suite installs out of the box. Try out our powerful modeling tools for free.

Discuss your science with experts

With decades of experience, our expert support team (PhDs in chemistry & physics) will help you with any queries that may arise.
Good parallel scaling DFT

UVVIS Spectrum gold nanocluster with TDDFT
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