Katharina Doblhoff-Dier uses computational and theoretical methods to study the atomic scale processes occurring at metal interfaces. Her research interests includes the description of heterogeneously catalyzed reactions as well as electrochemical processes/interfaces.
Striving for a better understanding of the underlying physical mechanisms, Katharina Doblhoff-Dier enjoys to combine a broad range of models and methods. The methods she uses range from various levels of electronic structure methods, over molecular dynamics simulations, all the way to mean-field modeling. To data, no single method can capture the full complexity of a (metal) interface under operando conditions. However, by making the right approximations and by combining various methods, Katharina Doblhoff-Dier gains insight into the complex systems at hand and aims to unravel the underlying, microscopic processes.