Earlier this month, we had an opportunity to present mat3ra-made at the APS March Meeting 2025 in Anaheim, CA. The talk focused on how this Python package, available as a collection of Jupyter Notebooks, simplifies the creation of realistic material configurations for modern materials science workflows — especially those involving 2D materials, interfaces, and defects.
Earlier this month, we had an opportunity to present mat3ra-made at the APS March Meeting 2025 in Anaheim, CA.
The talk focused on how this Python package, available as a collection of Jupyter Notebooks, simplifies the creation of realistic material configurations for modern materials science workflows — especially those involving 2D materials, interfaces, and defects.
Mat3ra-MADE is designed to streamline the generation of surfaces, interfaces, point- and surface defects, and other complex structures.
Built with Jupyter examples, it offers an interactive environment where researchers can quickly experiment, visualize, and iterate on material configurations — without sacrificing reproducibility or rigor.
We introduced a modular approach to material generation, centered around a Configuration that defines input materials and parameters, a Builder that performs the transformation, and a resulting Material enriched with Metadata that captures the full provenance of the process.
Check out our collection of example notebooks at jupyterlite.mat3ra.com
Everything runs inside the web browser with no need to install any additional packages, so one can start exploring right away.
Check out a few snapshots from the presentation and happy hour — thanks to everyone who stopped by, asked questions, or joined us for a drink!
