Research Groups

Computational Phase Studies

The research in this group is devoted to the physics of (meta)stable thermodynamic phases as well as transitions between them. The major vision is an ab initio based prediction of thermodynamic bulk phase diagrams, being directly related to many technologically relevant properties and processes in metals.

Defect Chemistry and Spectroscopy

The Defect chemistry and Spectroscopy group's aim is to develop multi-scale simulation techniques for point defects and related topics, and to apply them to problems in functional materials design.

Electrochemistry and Corrosion

The aim of the group "Electrochemistry and Corrosion" is to develop and apply ab-initio based mutli-scale simulation techniques to tackle problems in electrochemistry, with a strong focus on corrosion and related topics.

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Thermodynamics and Kinetics of Defects

Research in the Thermodynamics and Kinetics of Defects group focuses on the interplay and co-evolution of chemical and structural defects in structural metals to better understand and predict the role these defects play in macroscopic material properties. more

Growth modeling

The growth modeling project group investigates the epitaxial growth and the properties of compound semiconductors and nanostructures. The research interests of the group focus on the thermodynamics and kinetics of epitaxial growth, the electronic properties and energetics of surfaces and interfaces as well as the growth and the properties of semiconductor nanostructures.

Complex Concentrated Alloys

The project group aims at the computational design and accelerated exploration of complex concentrated alloys (CCAs) and related concepts such as multi-principal element alloys and high entropy alloys (HEAs). Mechanical, thermodynamic and materials properties are investigated by means of computer simulations in close collaboration with experimental and theoretical partners at MPIE and worldwide.