Examine a perovskite (CaSiO3)

Research area:

My research links Earth sciences with condensed matter physics, materials science, and high performance computing. In order to predict materials properties I apply computational methods, such as density functional theory and classical potentials. My results give a better understanding of planet-forming and technologically useful materials.

Specific interests are:

  • Prediction of materials properties at high temperature and linked to this the calculation of the free energy.
  • Transition-Metal Oxides with “strong correlations”. Many of these materials have either geological relevance (e.g. MgO) or appealing technological applicatioins in batteries for energy storage, magnetic materials or superconductors.