WG2: Documenting Interoperable Data and Modeling Resources

Motivation: The last decade saw an explosion of cyberinfrastructure for materials data and modeling in academia, national labs, and the private sector. This fast growth has not been accompanied by commensurate efforts in dissemination, education and training, resulting in resource underutilization and duplication of efforts. This is compounded by a lack of focus on resource interoperation which can result in siloed efforts.

Proposed work: This Working Group will assess, curate, and document existing data and modeling resources available to the community. The focus will be on resources that utilize technologies to make data and tools accessible and discoverable as opposed to collections of data or files. The working group will document key features of each resource, assess their interoperability, develop a guide to help researchers find the resources they need, and provide use examples that could be used in education and training. The results of this study will be made available to the materials community and will include mechanisms for updating the information as additional resources become available.

Goals and expected impact:

  • Foster the use and development of interoperable and federated repositories of data, analysis, and simulation tools
  • Foster data stewardship by providing information about available resources and best practices
  • Identify key gaps in the current materials data infrastructure and avoid duplication of efforts



  • Online report documenting existing resources, key features, and interoperability
  • Include a mechanism through which owners can register their resources
  • Guide for data consumers and producers to find the resources that best meet their needs
  • Establish a new or promote an existing platform to connect stakeholders and facilitate collaboration and sharing
  • Provide input to WG1: MDI Provider Integration and Interoperability

Term: 12/1/20-11/30/21

Chairs: Alejandro Strachan, Purdue University;