Related Networks

The conference addresses topics at the interface of materials science and computational workflows. The organizers are involved in the following intiatives and large-scale projects that are closely related to this scope:

National Research Data Infrastructure for Materials Science & Engineering.

To implement a material-specific data space, the NFDI-MatWerk aims to reduce technological barriers in MSE by developing generic software tools and an overarching data and information infrastructure. Among other aspects, this will enable individual scientists to share tools and modularized workflows simultaneously for experimental, theoretical, and data-driven materials science.

Platform MaterialDigital

The PMD has the goal of bringing together and supporting interested parties from the industrial and academic sectors in a sustainable manner in the implementation of digitalization tasks for materials. Digital workflows that support decentralized data or simulation concepts are achieved by active agents within dedicated software environments.

CRC “Structural and chemical atomic complexity – from defect phase diagrams to material properties”

The vision of this collabative research centre (CRC) is to bridge the gap between the thermodynamic descriptions of crystalline phases and the understanding and manipulation of the crystal defects by bringing them together in one new conceptual framework. Workflows play a key role in this context.

The Integrated Development Environment (IDE) pyiron

pyiron is an IDE for computational materials science, which combines several tools in a common platform. While its original focus was to support the development of complex simulation protocols for ab initio thermodynamics it quickly evolved into a versatile tool to manage a wide variety of computational tasks.

POTENTIALS collaboration and Scientific Network: Assessment of Atomistic Simulations

POTENTIALS is a collaboration with PIs Karsten Albe, Jörg Behler, Ralf Drautz, Matous Mrovec, Jörg Neugbauer, Jochen Rohrer, Alexander Stukowski in the scientific network "Assessment of Atomistic Simulations" headed by Yury Lysogorskiy with funding from the German Science Foundation (DFG).