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| Petrov, R. H. | Madrid |
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| Kočí, Jan | Prague |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azevedo, Nuno Monteiro |
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Rudzinski, Joseph
Max Planck Institute for Polymer Research
in Cooperation with on an Cooperation-Score of 37%
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document
FAIR Data Infrastructure with Enhanced Functionality and Domain Specific Applications
Abstract
Starting as a repository for computational materials-science data, NOMAD’s functionality has been significantly expanded by FAIRmat. Not only has its computational support been extended to excited-state calculations from many-body theories, classical molecular-dynamics simulations, and complex simulation workflows, it has also become a platform for sample synthesis, various experimental techniques, and an array of use cases. These advances have been achieved through FAIRmat’s development of (meta)data models and tools to process and describe the plethora of heterogeneous data available within the large materials-science community. Today, NOMAD contains 13 million entries, representing more than 3 million materials. Explore NOMAD’s domain-specific apps! These applications provide customizable dashboards for interactive data exploration and domain- or application-specific visualization of datasets. The Solar-Cell App integrates, for instance, more than 40,000 devices from the Perovskite Database Project. Our app for Metal-Organic Frameworks contains 17,000 calculations and is currently being expanded to synthesis conditions. Further applications will soon be available, ranging from heterogeneous catalysis to battery research. With NOMAD Oasis, FAIRmat brings our data infrastructure to individual labs. NOMAD Oasis allows researchers from various fields to adapt the NOMAD software to their individual needs. To learn more, please, visit our website at: https://nomad-lab.eu.