Max-Planck-Institut für Metallforschung

My research focuses on the fundamental understanding of structure-property relationships in materials for energy and health applications using a combined computational and experimental approach. Central to my research interests are ultralight structural materials for transportation applications; magnetic nanoparticles and low-dimensional structures for ultrahigh density recording and biomedical applications; the structure of disordered and glassy materials. My approach is a combined modeling and experimental effort that includes quantum-mechanical calculations at the level of the density-functional theory for bulk and nanoscale systems; ab initio high-throughput investigations of materials via materials informatics and optimal inversion; modeling on disordered and amorphous systems; surface diffraction experiments at synchrotron radiation sources.

1) Directing the Self-Growth of 2D Alloys

Two-dimensional alloys on substrates behave in dramatically different way than their bulk counterparts. My aim is to tailor not just the ordering trends, as it has been shown for a number of systems before, but to actually create patterns (stripes, compositional dots, etc.) using the symmetry of and the elastic strain induced by the substrate.
For more information click here.

2) Air-stable nanoparticle arrays for ultrahigh density recording and medical applications

Magnetic nanoparticles are the center of nanomaterials research with a variety of possible applications from ultrahigh density recording to magnetic sensing to biomedical applications. We have extended the diblock copolymer micelle nanolithography concept to synthesize monodisperse multicomponent core-shell NPs arranged in a triangular lattice. Special emphasis is set on Co_core@Fe_shell and corrosion resistant (FeCo)_core@Au_shell NPs. For more information click here.

3) Optimal Inversion and Materials Informatics

My research group and I have developed a range of computational and theoretical tools enabling a multiscale modeling of the configurational thermodynamics in bulk and nanoscale alloys. Our approach to cluster expansions and noise filtering is a sine qua non to the modeling and understanding ordering reactions in confined geometries. For more information click here.

Former group member