Python Examples

print("Welcome to the collection of AMS Python examples!")

Start with Getting Started if you need setup help, or jump straight to All Examples to browse the full collection by topic.

Every example page includes downloadable source files and an inline copy button for code snippets, so this section is the fastest route to reusable AMS scripting patterns.

Active Learning ADF ASE engine BAND DFTB ForceField GFNFF MLPotential Quantum ESPRESSO ParAMS MOPAC ReaxFF Bumblebee COSMO-RS VASP
Batteries OLEDs Spectroscopy Polymers Semiconductors Materials Science Nanoscience Inorganic Chemistry Oil & Gas Heavy Elements Catalysis Bonding Analysis Perovskites Organic electronics

A great strength of the Amsterdam Modeling Suite is the many different tools that can be combined in endless ways.

With Python scripting, you can make your own tailor-made workflows that calculate exactly the numbers you need and report the results in exactly the format you want.

These pages include

  • small, technical examples,

  • realistic, scientifically meaningful examples,

  • benchmarks,

  • scripting examples that match GUI tutorials 1-to-1, and

  • much more!

Happy scripting! And feel free to contribute your own example!