iuc17_demonstrator - NFDI-MatWerk conference 2023 release

The demonstrator as presented in the NFDI-MatWerk conference conducted from 27-29 June 2023.

The IUC17 demostrator is developed in the context of the NFDI-MatWerk conference. The specific user journey is the calculation of formation energies of vacancies.

• Application-level ontology for material science computational samples, CMSO, which initially describes samples on the atomistic level. (TA-OMS)
• The use of this ontology is aided by a software tool for automated annotation of structures using available atomic structural codes, atomRDF. (TA-WSD)
• atomRDF provides a way for users of common atomistic structure codes to implement RDF store and SPARQL querying.
• The use of this controlled vocabulary in a linked open data form ensures interoperability between different structural file formats and software, while also offering the possibility of making data findable and reusable.

- Jupyter Notebook
Published by srmnitc almost 2 years ago