Computational Materials Science makes data accessible and usable

Research data in materials science is often inaccessible or buried in the supplementary content of an article. Computational Materials Science is now the first journal in the materials science portfolio to offer two options to facilitate the sharing of peer-reviewed, citable raw research data, made publicly available to all upon publication, allowing scientists to get credit for their data.

First, Computational Materials Science is, alongside CALPHAD, piloting Elsevier’s new Open Data service, which allow authors to place datasets directly which are hosted alongside their articles on Sciencedirect. Prof. Susan Sinnott, Editor-in-Chief of Computational Materials Science, said: “I am pleased that Computational Materials Science is now participating in Elsevier’s new pilot: Open Data as this service provides authors with the option to easily upload their raw research data as a supplementary file free of charge.”

Second, Computational Materials Science now directly links to the Open Access journal Data in Brief, where authors can publish a short article describing the data underpinning their study. Both the data and article are freely available to all. A first article exploiting this new link was authored by Dr Rivero and Prof. Salvador Barraza-Lopez, from the University of Arkansas, linked to their article entitled Systematic pseudopotentials from reference eigenvalue sets for DFT calculations. The corresponding Data in Brief can be found here contains uniquely important new pseudopotentials. For Prof. Barrada-Lopez, "Pseudopotential files are a delicate input for density-functional theory calculations. The files were generated over a few months, and tested in more than one atomistic configuration.”

Prof. Barrada-Lopez finally indicated that “with Data in Brief, many developments in research can become more useful when data sources are shared. We are excited and grateful for the opportunity to have our data accessible at no cost to the community."

For more details, please refer to our page on related page on Materials Today.