Physical Chemistry in the Liquid Phase

I investigate how molecules in liquids find each other, rearrange themselves, and form new structures. Using large-scale computer simulations, I study processes such as self-organization, solvation, and the first steps in the formation of materials such as zeolites. I also look at how polymers behave in different solvents, which contributes to a better understanding of chemical and physical methods for plastic recycling. Because these complex systems often require long and detailed simulations, I am also developing faster and more efficient computer models based on machine learning. Such methods make it possible to describe complex chemical reactions on scales that would otherwise be too expensive to calculate. At the same time, I am interested in reducing the ecological footprint of these types of simulations. By finding a better balance between accuracy, computing time, and energy consumption, I aim to make molecular simulations both more powerful and more sustainable. In this way, my research combines fundamental molecular insight with the development of practical tools that support experiments and contribute to the creation of new, environmentally friendly materials and processes.