Dr. Poths jump-starts her independent junior group in the Theory Department, supported by a prestigious Liebig Fellowship

The Fritz Haber Institute is happy to announce that Dr. Patricia Poths has secured a prestigious Liebig Fellowship from the Fonds der Chemischen Industrie (FCI) to jump-start her independent junior group “Realistic Modeling of Catalyst Dynamics at Interfaces”, within the Theory Department. 
 

Since June 2023, Dr. Patricia Poths has been a postdoctoral researcher in the group of Dr. Matera in the Theory Department, supported by a renowned Alexander von Humboldt Fellowship. For the past two years, Dr. Poths has been working on automatic process exploration with application towards catalyst restructuring and dynamics under relevant reaction conditions. 

Dr. Patricia Poths' educational journey reflects a truly global outlook on scientific research. She began her academic path at the Vienna International School in Austria before moving on to Imperial College London in the United Kingdom, for her undergraduate studies. These early experiences laid a strong groundwork for her future scientific contributions.
For her PhD, Dr. Poths had the opportunity to work with Prof. Anastassia N. Alexandrova at the University of California, Los Angeles (UCLA), in the United States. Her research during this period focused on computational studies of small metallic clusters and their role in cluster catalysis. Specifically, she worked on creating realistic models of sub-nanoclusters on surfaces, with the goal of understanding their evolution under catalytic conditions, accounting for ensembles of possible active sites.

More recently, she was awarded a Liebig Fellowship from the Fonds der Chemischen Industrie (FCI) to jump-start her independent junior group within the Theory Department. 
The “Realistic Modeling of Catalyst Dynamics at Interfaces” group will study how catalytic active sites restructure under realistic reaction conditions. By combining first-principles calculations, machine-learned interatomic potentials, and automated process exploration with multiscale modeling, the group will bridge surface science and heterogeneous catalysis across time and length scales. Dr. Poths´ work will span the range of catalytically-relevant length-scales, with a focus on dynamic sub-nanoclusters as well as extended surfaces, aiming to link catalyst restructuring and reactivity to experimentally observable behavior. 

“I am thrilled to be starting my independent research group at the Fritz Haber Institute, there is truly no better place to push the boundaries of what can be done with computational catalysis, and I really value the supportive and collaborative environment that has helped me evolve as a researcher.” - says Dr. Poths.

Fonds der Chemischen Industrie (FCI) significance and figures

Since 1950, the Fonds der Chemischen Industrie (FCI), part of the Verband der Chemischen Industrie (VCI), has supported chemistry education in schools, early-career researchers, and fundamental research in chemistry and related disciplines. In 2025, the FCI’s budget for education and research amounts to around €14 million, including dedicated initiatives such as approximately €2 million for data science in chemistry education. The FCI provides tailored funding opportunities for different career stages, including well-known fellowships such as the Liebig Fellowship for postdocs and the Kekulé Fellowship for PhD candidates.