My master's thesis is on the catalysis of carbon dioxide methanation at interfacial sites between metal oxide nanoparticles and metallic surfaces. In my project I am using density functional theory to calculate energies for reaction intermediates, with the ultimate goal of using the results to generate machine learning models that can be applied to predict energies on different systems, enabling catalyst screening.
1520-330 Ny Munkegade
DK-8000 Aarhus C
