Machine learning for exploring small polaron configurational space
Published in npj computational materials
Category: Publication Highlight
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.
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.
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.