Dr. Harald Oberhofer



Research Areas

PD Dr. Harald Oberhofer's (b. 1980) research interests mainly lie in the fields of materials' development for energy applications and electronics. Specifically, he works on the discovery and optimisation of both inorganic and organic solids for use in photo-chemistry, transistors, and batteries. In all these cases, the central focus lies on the problems of transport of charge carriers (electrons/holes, protons, or ions) not only in bulk but also across interfaces, such as e.g.~electrode/semiconductor contacts or in photo-electrocatalysts in solution.

Methodologically, his research is based on a multi-layered bottom-up approach, where an in-depth understanding of the involved transport processes informs the formulation of so-called materials descriptors, i.e. properties of a material that are computationally accessible and correlate well with the observables to be optimised. These are calculated from first principles, or first-principles parametrised multiscale-models, to then be analysed using state of the art data-mining or machine learning techniques.

Scientific Career

PD Dr. Oberhofer performed his undergraduate studies in physics at the University of Vienna, where he also obtained his masters and PhD degrees. Furthermore he obtained a master's degree in materials' simulations from the École normale supérieure in Lyon. After a post-doctoral fellowship at the University of Cambridge (UK) he joined TUM's chair for Theoretical Chemistry as an Alexander von Humboldt fellow. After that he started forming his subgroup at TUM to obtain his Habilitation and the title Privatdozent. Since 2020 he holds Heisenberg position at the Chair for Theoretical Chemistry.