The MGI Code Catalog represents an extensive collection of information about software relevant to computational materials science and materials data analysis. Originally developed as a standalone project using the NIST-developed Materials Data Curation System (MDCS), the existing Code Catalog records have been incorporated into the NIST Materials Resource Registry (NMRR) software entries (links are external) to better connect these materials-related codes with other resources about materials data, and new records will be entered there directly.
The Materials Genome Initiative is fostering the acceleration of the discovery, design, development and deployment of new materials through the creation of a “Materials Innovation Infrastructure”. This infrastructure is comprised of computational tools, experimental tools, and digital data. In order to ensure the validity of computations, codes must be benchmarked and their quality assessed, which in turn requires knowledge of the currently available codes and methods.
The MGI Code Catalog effort is distinct from others that are similar in that it incorporates an extensive and extendible set of metadata, enabling fine-grained search. It is incorporated into a larger effort through the NMRR to facilitate access and use of the software and code. While NIST has taken a curatorial role to keep the catalog as current and accurate as possible, input and participation are still required from the materials science and engineering community to maintain quality and relevance. If you are aware of a code that should be listed or a record updated, we welcome your input.