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Virtual Materials Design

Materials are of high importance for science, technology and industrial competitiveness and are of utmost importance for big societal challenges. Materials are often an essential basis and prerequisite for new technological solutions in fields, like energy, environment, health, information, communication, engineering, security and transport.

The Joint Lab “Virtual Materials Design” is positioned in the Helmholtz Research Area “Information”. Members of the Programs 2 “Natural, Artificial and Cognitive Information Processing” and Program 3 “Materials Systems Engineering” conduct research on new materials for technologically relevant materials. Members of Program 1 “Engineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action” support the research in direction of data infrastructures, workflow design and development of numerical algorithms for cutting edge supercomputer facilities.

With the help of High Performance Computing, the traditional experimental materials design will be augmented by systematic design studies and search strategies. Three different pillars will be considered, which will rely on the developed workflows and design environment, i.e. Quantum magnetic materials, computed on the basis of DFT methods, polymeric and organic materials based on classical simulations and structural studies for macroscopic design studies in the field of hybrid materials or metallic biomaterials with finite element techniques. The goal of the project is to develop workflows for selected materials and to develop and apply modern methods and parallelization strategies for an accelerated materials design process.


Forschungszentrum Jülich GmbH, Germany
JSC's contact person is Godehard Sutmann,

Helmholtz-Zentrum Berlin, Germany

Helmholtz-Zentrum Geesthacht, Germany

Karlsruhe Institute of Technology, Germany

This project is funded by BMBF / HGF's Innovation Pool.

The grant period is January 2019 until December 2020.