Using simulator-based methods based on theoretical solid-state physics and materials mechanics, we can resolve material behavior and predict material properties.
offer you pragmatic access to the diverse possibilities of atomic materials modeling by means of customized solutions.
investigate and evaluate, in physical terms, new types of materials and check their potentials in regard to the required property profile.
reduce trial-and-error loops by searching the large scope of possibilities of materials development and optimization quickly and efficiently.
develop model systems for materials in their complex application or manufacturing context and reduce them to the decisive factors. In this way we offer pathbreaking decision-making tools for materials design and materials optimization. The value of our simulation calculations can be realized from the insights and explanations of the internal mechanisms of materials and to cause-and-effect relationships.
We resolve the correlation between the physical properties of a material on the one hand and its atomic and electronic structures on the other. We provide understanding of the underlying mechanisms and relationships, and this enables you to optimize the starting materials of your products and thus to adapt them to specific operating conditions and requirements:
Structural properties such as atomic crystal structure and chemical composition
Thermodynamic properties such as energy of formation and phase stability
Mechanical properties such as elastic constants and mechanical tensions
Electrical properties such as electrical conductivity, band structure and dielectric constants
Magnetic properties such as magnetization and anisotrophy
Optical properties such as transparency and reflectivity
Thermal properties such as the coefficient of thermal expansion
Kinetic properties such as energy barriers for nuclear diffusion processes