Todorova, M.: Thermodynamic stability of bulk oxides and their defects in an electrochemical environment. 5th Sino-German Symposium, Changchun, China (2015)
Todorova, M.: From semiconductor defect chemistry to electrochemisty: New tools and insights. Workshop “Enabling methods for materials innovation: From quantum to mesoscale”, Gainesville, FL, USA (2015)
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)
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
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…