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NOMAD Laboratory: Big Data Services for Materials Science

NOMAD Repository organizes & shares materials data from important computational science codes for advancing materials engineering. Explore the NOMAD Encyclopedia for a detailed view and utilize the Big-Data Analytics Toolkit for correlations in archive data.

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NOMAD Laboratory: Big Data Services for Materials Science

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  1. https://NOMAD-CoE.eu • homepage The Novel Materials Discovery (NOMAD) Laboratory maintains the largest Repository for Input and Output files of all important Computational Materials Science Codes. From its open-access data it builds several Big-Data Services helping to advance materials science and engineering. NOMAD structure and use cases

  2. NOMAD Repository Organize And Share Materials Data The NOMAD Repository accepts (and requests) in- and output files of all important codes. Currently, the NOMAD Repository contains 3,350,745 entries. https://repository.nomad-coe.eu also described at youtube.com Data is the raw material for the 21st century.

  3. NOMAD Repository Organize And Share Materials Data The NOMAD Repository accepts (and requests) in- and output files of all important codes. Currently, the NOMAD Repository contains 3,350,745 entries. There are 30-40 important codes used in computational materials science. Nomenclature, data representation, and file formats of the input and output files of these codes are different. The heterogeneity could hardly be worse. https://repository.nomad-coe.eu also described at youtube.com Data is the raw material for the 21st century.

  4. The NOMAD Laboratory A European Centre of Excellence NOMAD Code-Independent Archive Data Representation So That All Data Can Be Used for Analytics The NOMAD Repository accepts (and requests) in- and output files of all important codes. Currently, the NOMAD Repository contains 3,150,745 entries. Conversion Layer https://repository.nomad-coe.eu also described at youtube.com Data is the raw material for the 21st century.

  5. The NOMAD Laboratory A European Centre of Excellence NOMAD Code-Independent Archive Data Representation So That All Data Can Be Used for Analytics The NOMAD Repository accepts (and requests) in- and output files of all important codes. Currently, the NOMAD Repository contains 3,150,745 entries. Conversion Layer https://repository.nomad-coe.eu also described at youtube.com Data is the raw material for the 21st century.

  6. NOMAD Encyclopedia A web-based public infrastructure NOMAD Encyclopedia The Encyclopediaallows users to see, compare, explore, and understand the data.

  7. NOMAD Encyclopedia A web-based public infrastructure NOMAD Encyclopedia The NOMAD Encyclopedia provides a materials-oriented view on the Archive data. Whatever property of a given material has been computed, is easily accessible through a user-friendly graphical user interface. This spans from structural features, to mechanical behavior, thermal properties, electronic structure, transport characteristics, and the response to light and other excitations. Online May 1, 2017 The Encyclopediaallows users to see, compare, explore, and understand the data.

  8. NOMAD Big-Data Analytics Toolkit Identify Correlations and Structure in The Archive Data EXAMPLE: Structure map of AB binary semiconductors, obtained with a compressed-sensing algorithm. Result can be (re)obtained at: https://analytics-toolkit. nomad-coe.eu/ Rock Salt Zincblende Enable scientists and engineers to identify materials for poten-tial use in novel products or for more detailed study. Properties of free, neutral atoms

  9. NOMAD Advanced Graphics Seeing Helps Understanding EXAMPLE: Visualizing CO2 adsorption at a CaO(001) surface • Enable comprehensive analysis and interact-tivevisualization of molecular simulations. • Infrastructure for remote visualization of NOMAD data • Virtual reality • environment • for immersive • data exploration, • training and • dissemination. https://www.youtube.com/watch?v=bNKjnonLP0s

  10. https://NOMAD-CoE.eu Contacts

  11. https://NOMAD-CoE.eu Contacts NOMAD has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 676580.

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