A new set of metadata to be used to document materials simulations has been developed by a group of scientists, as part of a U.S. National Science Foundation supported effort led by Ellad Tadmor, University of Minnesota. The proposed new standard includes a set of minimal core metadata as well as specific metadata for a number of widely-used methods such as DFT and Molecular Dynamics, with additional methods to be added in the future. It is designed to represent key aspects of a materials-focused computation to make it findable and understandable to the broad materials research community.
For more information, please check the MatCore website. Please check out the standard including examples, try it out on some of your own datasets.
Your feedback by 30th May 2026 would be greatly appreciated to help ensuring that the proposed standard meets the community’s needs.
