About Lucas

I am a theoretical and computational chemist with a focus on the use of quantum mechnanics for solving chemical problems. After completing my chemistry studies at University of Ulm and Technical University of Munich, I did my PhD under the supervision of Prof. Dr. Frank Neese at the Max Planck Institute for Chemical Energy Conversion and the Max-Planck-Institut für Kohlenforschung. There, I focused on electronic structure theory, in particular multireference perturbation theory methods, and their application for magnetic properties and spectra of transition metal complexes.

After an 8-month parental leave following the birth of our child in 2020, I began working on my EU-funded Marie Skłodowska-Curie postdoctoral project ML4Catalysis at the Hylleraas Centre for Quantum Molecular Sciences at the University of Oslo. Together with Prof. Dr. Thomas Bondo Pedersen and Prof. Dr. David Balcells, I worked at the intersection of quantum chemistry and machine learning in order to advance the state-of-the-art of computational catalysis.

Recently, I returned to Germany for starting my junior research group at Technical University of Berlin funded by a Liebig fellowship of the Fonds der Chemischen Industrie. One of my future focus areas will be the prediction of nuclear magnetic resonance (NMR) spectra of paramagnetic molecules.

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