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 4^th 2022.