By Karlsruhe Nano Micro Facility (KNMF)
Without suitable modelling, simulation and analysis methods, the constantly growing request for information on materials behavior as well as the amounts of data from simulations and experiments will no longer be recordable. An important aspect is to be able to perform modelling and simulation in an efficient and rapid way. Here, the massive parallel solver Pace3D is used for materials research. To perform the corresponding data analysis smoothly, a structured storage of research data and related metadata is essential. In addition to uniform data storage, such systems can overcome inter-institutional hurdles, generate specific models, compare theoretical and experimental data and offer reproducible workflows for data analysis. Furthermore, linking data with persistent identifiers enables other researchers to reference them in their work. Kadi4Mat, the Karlsruhe Data Infrastructure for Materials Science, is a software to tackle the challenges mentioned, by combining new concepts with established technologies and existing solutions.
