Todorova, M.: Aqueious corrosion from the perspective of semiconductor defect chemistry: New tools and insights. CMRI Workshop on Computational Study of Corrosion, IMR, Tohoku University, Sendai, Japan (2015)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
Todorova, M.: Stability and defect chemistry of zinc oxide in contact with an electrochemical environment: An ab initio approach. Helmholtz-Zentrum Berlin , Berlin, Germany (2014)
Todorova, M.: Connecting defect chemistry in semiconductors and electrochemistry. ICMR Workshop on Ab-initio description of charged systems and solid/liquid interfaces for semiconductors and electrochemistry, University of California, Santa Barbara, CA, USA (2014)
Todorova, M.: Stability and defect chemistry of oxides in contact with an electrochemical environment: An ab initio approach. Talk at University of California, Santa Barbara, CA, USA (2014)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Modelling Mica from first-principles. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (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)
Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. DPG Frühjahrstagung, Regensburg, Germany (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…