Data Reproducibility and Traceability forCommunity Materials Databases: Qresp for MatD3

Jan 16, 2020
Scientific Achievement: The interfaces of the Qresp and MatD3 software packages (http://www.qresp.org/ and  https://github.com/HybriD3-database/MatD3) have been connected and extended for research data reproducibility and availability.

Significance and Impact: The availability of the combined Qresp-MatD3 solution will enable the community to take a significant step forward in making available the vast trove of newly generated materials research data for validation and reuse, in a distributed fashion.
Scientific Achievement: The interfaces of the Qresp and MatD3 software packages (http://www.qresp.org/ and https://github.com/HybriD3-database/MatD3) have been connected and extended for research data reproducibility and availability. Significance and Impact: The availability of the combined Qresp-MatD3 solution will enable the community to take a significant step forward in making available the vast trove of newly generated materials research data for validation and reuse, in a distributed fashion.

Materials data from individual research groups is traditionally disseminated by means of loosely interconnected, peer-reviewed publications. The combined Qresp MatD3 solution allows researchers to enter their data as well as associated publication and reproducibility information in a single workflow: i) Creation of a MatD3 entry with simultaneous generation of the corresponding metadata for Qresp curation and exploration;  ii) Generation of Qresp metadata for an already existing MatD3 entry, and iii) Generation of MatD3 entries from Qresp metadata.

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