Nykänen, L.; Honkala, K.: Selectivity in propene dehydrogenation on Pt and Pt3Sn surfaces from first principles. ACS Catalysis 3 (12), pp. 3026 - 3030 (2013)
Nykänen, L.; Todorova, M.; Neugebauer, J.: Ab initio modelling of platinum oxides. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.