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Joint Lab Virtual Materials Design

Joint-Lab VMD

Photo: Hereon/N. Huber

The Joint Lab Virtual Materials Design (JL VMD) is laying the foundation for a Helmholtz platform for the virtualization of materials research, which will continuously be expanded. This platform is established by KIT, FZJ, Hereon, and HZB to support the development of materials with computational methods. This includes the development and maintenance of in-house codes for ab-inito simulations (Fleur, FZJ), molecular dynamics and work flows (KIT), and multiphysics simulations (4C, Hereon). In cases, where a purely theory-based numerical approach is not feasible, the spectrum of methods is complemented by data-driven methods and machine learning. The activities of the JL VMD can be categorized into software development and the development of digital twins for an evolving set of applications.