Feb 26, 2016

NOMAD drives standardization and comparability in material science data


In the CECAM Workshop "Towards a Common Format for Computational Materials Science Data" representatives of more than 20 leading material science simulation packages worked together on solving long standing issues.

Posted by: kylie

The topics covered were a common data format including a library and API, a common representation of important data, and ways of making results comparable. Beyond the importance of the progress made for the NOMAD laboratory, it improves the development and capabilities of programs in the whole field.

Presentations included:

  • C. Draxl, HU Berlin - Quantities related to excited-state calculations, and
  • L. Ghiringhelli, FHI - A Common energy zero for total energies.