MC3D: How to make your own materials database

Wednesday 17 Sept 2025, 15:00 → 16:00 Europe/Zurich

OVGA/200

High-quality curated materials property databases are valuable resources for a variety of applications, such as property prediction (e.g. machine learning methods) and material screening through sophisticated ab initio simulations, using them as a starting point. In my talk, I will present our efforts in creating a fully provenance-based crystal structure 3D materials database, which is derived from experimentally realizable compounds. I will discuss our approach, the tools that enable this effort as well as potential future extensions