Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends in magnetic shape memory alloys. Mini Workshop on Lattice Dynamics, Uppsala University, Uppsala, Sweden (2013)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Modelling Mica from first-principles. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Dutta, B.; Hickel, T.; Neugebauer, J.: Phase transitions in magnetic shape memory alloys: Ab-initio based prediction of chemical trends. Fourth International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA'13), Boise, ID, USA (2013)
Ilhan, M.; Todorova, M.; Neugebauer, J.: Adsorption of H, S, and O on the Iron (100) surface. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Izanlou, A.; Todorova, M.; Neugebauer, J.: Interactions of water and its derivatives with low index Fe3Al surfaces. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (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)
Todorova, M.; Neugebauer, J.: The Nernst equation in the context of semiconductor defect chemistry. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
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
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
Developing and providing accurate simulation techniques to explore and predict structural properties and chemical reactions at electrified surfaces and interfaces is critical to surmount materials-related challenges in the context of sustainability, energy conversion and storage. The groups of C. Freysoldt, M. Todorova and S. Wippermann develop…