Laboratory for the Computation of Materials and Devices
Our research group is interested in the application of theoretical and computational methods to understand the relations between material properties and microstructure. Particular emphasis is placed on the analytical description of complex processes whenever possible and on the development of numerical algorithms and codes for microstructural simulation. We are also interested in developing the means to optimize materials through fundamental understanding and scientific visualization of the relations between processing, structure, and properties.
The current focus is on the description of multifunctional material properties and its application to technologically relevant problems. Example applications include advanced rechargeable lithium ion batteries, ferroelectric microstructures for random access memories, thermoelectric generators, solid oxide fuel cells, solid state light emitting devices, and multiferroic materials. For these applications careful consideration is made to understand the interactions of the material phases at the mesoscopic level.
Whenever required, the Laboratory for the Computation of Materials and Devices develops new analytical tools, algorithms, and codes for improving materials performance to better understand the relation between processing, structure, and properties. Such tools are being made public to the scientific community, as they become available.
