Joint Lab Virtual Materials Design

The goal of the JL VMD is the development and validation of methods for computational material development. Within PGI-1/IAS-1 the JL establishes the anchor point for the various efforts of code development and deployment, of materials properties screening approaches and of the corresponding high-performance and high-throughput calculations.

Besides the application of our electronic structure methods based on density functional theory and related methods, a key focus lies on the development of efficient, reliable and consistent workflows that facilitate the generation of extensive materials properties databases.