Publications – Highlights

Machine learning for exploring small polaron configurational space

Published in npj Computational Materials

Structure of an Ultrathin Oxide on Pt3Sn(111) Solved by Machine Learning Enhanced Global Optimization

Accepted in Angewandte Chemie and ranked in the top 10 % of articles.

Reconstruction changes drive surface diffusion and determine the flatness of oxide surfaces

Published in Journal of Vaccum Science & Technology A and featured as AIP Scilight in February 2022.

CO oxidation by Pt2/Fe3O4: Metastable dimer and support configurations facilitate lattice oxygen extraction

Published in Science Advances and featured as TU Wien press release on April 4th 2022.