pySIMTRA

pySIMTRA is a Python wrapper for SIMTRA (Simulation of Metal Transport), a Monte Carlo code for simulating the transport of sputtered atoms through the gas phase. SIMTRA allows for the definition of custom sputter systems in 3D by a graphical user interface and does not only calculate the deposition profile, but also properties of the deposited atoms such as energy and direction. pySIMTRA extends this functionality by allowing to define custom systems programmatically via code but most importantly enables the simulation of co-sputtering experiments through the parallel execution of the SIMTRA simulations with multithreading.

The package is part of a scientific publication A Python-Based Approach to Sputter Deposition Simulations in Combinatorial Materials Science which can be found here:

Surface and Coatings Technology: https://doi.org/10.1016/j.surfcoat.2025.131998

Documentation

If you’re new to pySIMTRA we suggest you to start with:

• Getting Started
  • Installation
  • Limitations

For examples in how to define custom sputter systems see:

• User Guide
  • Define a Single-cathode system
  • Define a Multi-cathode system
  • Subclassing pySIMTRA objects

For a description of all provided classes and methods see:

• API Reference
  • Package Setup
  • Components
  • Surfaces
  • Sputter System