Minisymposium: FAIR Principles in Materials Science: Open Science Tools and Platforms
Event TypeMinisymposium
Chemistry and Materials
TimeFriday, 9 July 202114:00 - 16:00 CEST
LocationMichel Mayor
DescriptionThe discovery of new materials by means of computational approaches has seen a dramatic shift towards high-throughput approaches and big-data analysis.
This has asked for the development of techniques to deal with the generation, storage and processing of large amounts of simulation data, complementing experimental data in the discovery effort.
Sharing research data acquires critical importance to make the experimental and computational results, and the overall scientific process, reproducible.
In this symposium, we will discuss present approaches and challenges to grant efficient solutions for Finding, Accessing, Interoperating and Reusing (FAIR) scientific data. Four speakers:

-Professor Giulia Galli, Department of Chemistry University of Chicago, USA
-Dr. Emanuele Bosoni, Institut de Ciencia de Materials de Barcelona, Spain
-Professor Gian-Marco Rignanese, Institute of Condensed Matter and Nanoscience (IMCN), Université catholique de Louvain (UCL), Belgium
-Dr. Carl Simon Adorf, Laboratory of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne, Switzerland

will focus the discussion on platforms to grant interoperability between materials databases (OPTIMADE); to curate scientific publications (QResp: generation of metadata, automatic access and exploration of scientific data within a publication); to enable execution and exchange of computational workflows, making simulations accessible, and interoperable between different quantum simulation engines (AiiDA, AiiDAlab)