Development of Data Models
This project is convening experts with the goal of developing foundational data types and domain-specific data models to address common modeling, synthesis and measurement techniques. The existence of such data models will facilitate the adoption of the Materials Data Curation System. Current focus areas for foundational data types include representations for physical quantities, uncertainties, Miller indices, and tensor quantities. Current focus areas for domain data models include atomistic simulation (classical and quantum mechanical), diffractometry, and electron microscopy. The community is encouraged to modify and expand upon these foundational data types and domain data models. To make such community-supported data models discoverable and accessible within the broader Materials Innovation Infrastructure, a repository is being developed.
Integration with Existing Research Projects
To demonstrate the use of the data models described above, this project is supporting integration in the following research projects:
- NIST Interatomic Potentials Repository
- High-Throughput (Combinatorial) Materials Science
- Cloud of Reproducible Records
- Generic Materials Design Toolkit
- DFT Benchmarking
- Grain Boundary Properties
Would you like to get involved?
Would you like to know more or participate in data model development?
Would you like to attend a new users workshop?
Would you like to help coordinate a domain-specific workshop?