Todorova, M.: Selective stabilization of polar oxide surfaces in electrochemical environment. Workshop: The Electrode Potential in Electrochemistry - A Challenge for Electronic Structure Theory Calculations, Schloß Reisensburg, Günzburg, Germany (2017)
Todorova, M.: Free energy sampling for electrochemical systems. Workshop II: Stochastic Sampling and Accelerated Time Dynamics on Multidimensional Surfaces, IPAM, UCLA, Los Angeles, CA, USA (2017)
Todorova, M.: Ab-initio modelling of electrochemical processes: Challenges and insights. Workshop: Fundamental Electrochemistry: Theory Meets Experiment, Leiden, The Netherlands (2017)
Todorova, M.: From semiconductor defect chemistry to electrochemistry: Insight into corrosion mechanisms from ab initio concepts. 57 Sanibel Symposium, St. Simon Island, GA, USA (2017)
Todorova, M.: From semiconductor defect chemistry to electrochemistry: Gaining new insights from computational physics tools. ICCP10 Conference , Macao, China (2017)
Todorova, M.: Oxide stability and defect chemistry in an electrochemical environment: an ab initio perspective. Workshop 2016 der DFG-Forschergruppe 1376 “Elementary reaction steps in electrocatalysis: Theory meets experiment“, Reisensburg, Günzburg, Germany (2016)
Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe2O3. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)
Todorova, M.: Electrochemistry from the perspective of semiconductor defect chemistry: New tools and insights. Psi-k Conference, San Sebastian, Spain (2015)
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Halide ions (Cl/Br/I) in water from ab-initio Molecular Dyna. Psi-k 2015 Conference, San Sebastián, Spain (2015)
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)
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…
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…
ECCI is an imaging technique in scanning electron microscopy based on electron channelling applying a backscatter electron detector. It is used for direct observation of lattice defects, for example dislocations or stacking faults, close to the surface of bulk samples.