Congratulations to Alexander Rumpf

Alexander Rumpf successfully passed his Master’s exam about Fragment-Based Embedding of Correlated Wavefunction Methods for CO Adsorption on TiO2(110).

In his thesis, he systematically evaluated various fragment construction schemes to accurately capture the electronic structure of carbon monoxide adsorbed on titanium dioxide. His highly precise theoretical predictions reveal a significant discrepancy with experimental data, exposing a fascinating puzzle that highlights the complex influence of temperature, vibrations, surface defects and specific measurement techniques on the observed adsorption behavior.