MADICES workshop 2022

Feb 07, 2022, 14:00 until Feb 09, 2022, 16:30, Online

This CECAM workshop is devoted to machine-actionable data interoperability for chemical sciences (MADICES): bridging experiments, simulations, and machine learning for spectral data. Developers, scientists, and data specialists will be brought together to discuss the hurdles and opportunities of data interoperability in the context of the chemical and materials sciences. We will strive for general technical recommendations, with X-ray absorption spectroscopy as the prototype use case.

Workshop website:

Workshop objectives:

  1. To prepare a perspective paper targeted at providing guidelines and recommendations for new projects in our field that work with data.

    • For example, how best to prepare and disseminate datasets, databases and APIs such that they are interoperable with existing projects.
    • We will be focusing on the area of X-ray absorption spectroscopy as a concrete example of a domain where a sample, its context/metadata and relations with other samples and computational experiments (e.g. peak assignment) are necessary for the science
  2. To identify particular challenges that can be overcome via new collaborative software libraries/infrastructure and motivate their creation over follow-up meetings/hackathons

    • For example, services that aid discoverability of apps/schemas, and ways of discovering if two apps are interoperable
    • For example, strategies for progressively adopting open linked data principles that are accessible to non-experts
  3. To motivate follow-up meetings, hackathons and foster new cross-initiative collaborations.

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