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UBREMEN brings to the consortium a strong scientific expertise in the development and deployment of automation workflows for the calculation of complex properties of materials, including the development of dedicated tools for such as the workflow and data manager AIIDA. In this respect, UBREMEN will be leading and strongly involved in the activities of WP2 related to the development of exascale workflows, starting from their scientific design, to the development of the corresponding software infrastructure (in collaboration with IT4I@VSB for what concerns HYPERQUEUE), and eventually to the deployment on EuroHPC machines.
UBREMEN will also coordinate the production of the MAX data management plan and its execution, including FAIR data, reproducibility, and provenance.