5. Materials Encyclopedia (incl. metadata for experimental samples and methods)

Spokesperson: Claudia Draxl (Humboldt University/Fritz Haber Institute)

Co-Spokesperson: Matthias Scheffler (Fritz Haber Institute), Dierk Raabe (MPI for Iron Research), Peter Fratzl (MPI of colloids and Interfaces), Christian Liebscher (MPI Düsseldorf)

Knowledge and understanding of materials is based on their characterization by a variety of measured and/or computed properties. This includes structural features, mechanical and thermal behavior, electronic and magnetic properties, the response to light, and more. For computational data this is being established by the NOMAD Encyclopedia, as part of the NOMAD Laboratory (Novel Materials Discovery) Centre of Excellence (nomad-coe.eu) In BiGmax, we aim at characterizing materials from both types, experiment and theory. While for the theory side the relevant metadata have been largely developed, this still needs to be done for experimental samples and methods.

The final goal of this BiGmax project area is to represent both types of materials results side by side in a graphical user interface, as an extension of the NOMAD Encyclopedia.

The project is geared towards the realization of open science and data sharing.

The individual project and members are the following:

5.1. Extension of metadata towards experimental data -  Markus Scheidgen, Claudia Draxl (Humboldt University/Fritz Haber Institute), Christian Liebscher (MPI Düsseldorf)

5.2. Measuring similarity of materials and their properties - Martin Kuban, Markus Scheidgen, Santiago Rigamonti (Humboldt University/Fritz Haber Institute)

5.3. Metada for big datasets in time-resolved and multidimensional STEM - Claudia Draxl (Humboldt University/Fritz Haber Institute)Gerhard Dehm, Christian Liebscher (MPI for Iron Research), Christoph T. Koch (Humboldt University)

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