In-depth characterization and understanding of materials concerns knowledge of their various properties. This includes stuctural features, mechanical and thermal behavior, electronic and magnetic properties, the response to light, and more. The NOMAD Encyclopedia is a web-based public infrastructure that provides this materials-oriented view on the NOMAD Archive. Whatever property of a given material has been computed, is easily accessible through a user-friendly graphical user interface (GUI). Having all this information in one place, gives us an impression about the wealth of available materials data and allows for comparing even very different systems in terms of certain features. To explore the first edition of the NOMAD Encyclopedia, click the Encyclopedia button above.

The NOMAD Encyclopedia is constantly extended in terms of new data, other system types, and properties. Our data source is the NOMAD Archive, based on the open-access raw data of the NOMAD Repository. This data has been produced by a variety of methods, like density-functional theory (DFT), (ab initio) molecular dynamics, time-dependent DFT, and many-body perturbation theory, utilizing many different computer packages of the materials-science community.

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contact concerning general aspects of the CoE: Jessica Pietsch

contact concerning the NOMAD Encyclopedia: Georg Huhs

Encyclopedia News

We're adding Molecular Dynamics to the NOMAD Encyclopedia!

At our latest Coding Party in April, we worked on how to add Molecular Dynamics as a new methodology. We also worked on surfaces as a new system type. Both will be available soon in the Encyclopedia!