Institute Quantum Phenomena in Novel Materials

Scientific Workflow

The scientific workflow describes the path from theory, through sample preparation, to experimentation and data analysis. Formally, it is a modeling method used in both simulation and data analysis to control the coordinated execution of repeatable actions, taking dependencies and parallelism into account.

The goal is to digitize and automate these processes as much as possible, allowing for a better focus on the underlying physics. Today, this typically includes the use of high-performance computing, data management and analysis, and visualization.

Draft for a scientific workflow concept.

Research Data Management

Data management must be organized in such a way that the input data can be read and the results written in a defined manner at every step, enabling, for example, multi-physics models and even digital twins.

The FAIR principle applies here, with the steps of Findable, Accessible, Interoperable, and Reusable.

Infrastructure

In order to implement the ideas and specifications, the institute acquired its own hardware, for example to train the ANN using GPU cards.