Mat3ra 2D (Part III) - Webinar

This (open to all) webinar will focus on the creation of more complex structures using the `mat3ra-made` Python package. Building on Parts I and II, we will demonstrate hands-on workflows in Jupyter Notebooks to design and explore point defects, surface defects, and grain boundaries. The session is targeted at materials scientists and engineers of all levels and will include a real-time demonstration with ample time for Q&A.

Webinar: Mat3ra 2D

Part III: point defects, surface defects, grain boundaries.

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Date: Nov 26, 2025, 07.30 PST / 10.30 EST / 16.30 Europe / 20.00 India / 22.30 / Singapore / 23.30 Japan

Host: Timur Bazhirov

Presenter: Vsevolod (Seth) Biryukov

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Overview:

This (open to all) webinar will focus on the creation of more complex structures using the `mat3ra-made` Python package. Building on Parts I and II, we will demonstrate hands-on workflows in Jupyter Notebooks to design and explore point defects, surface defects, and grain boundaries. The session is targeted at materials scientists and engineers of all levels and will include a real-time demonstration with ample time for Q&A.

Agenda:

1. Introduction    

• Quick recap of the `mat3ra-made` package  
• Categories of structures to be covered in this session

2. Methodology    

• Brief overview of JupyterLite/Jupyter Notebooks usage
• Walkthrough of specific examples for advanced structures

3. Results: Example Structures

• Point Defects: GaN substitution, Graphene vacancy
• Surface Defects: Island on TiN, Ti Adatom on TiN
• Grain Boundaries: Planar grain boundary in Copper, Linear grain boundary for hBN

4. Q&A

Hands-on discussion and questions