I am a passionate and always curious scientist, teacher and mentor. My main areas of research comprise various aspects of computational chemistry, i.e. the simulation, prediction and optimization of chemical processes on the computer.

I currently work on machine-learned reaction property prediction, employing principles of graph theory, cheminformatics and deep learning to better understand chemical reactions, and to develop new computational approaches toward eco-friendly synthesis of diverse target molecules in the long term. I am furthermore a software developer and maintainer, for example for a Python package that predicts molecule and reaction properties using graph-convolutional neural networks. Other areas of expertise comprise the computer simulation of soft matter and the quantum-mechanical calculation of various molecular and atomic properties.