Publications of Mira Todorova

Neugebauer, J.; Yang, J.; Todorova, M.; Hickel, T.: Constructing Defect Phase Diagrams from Ab Initio Calculations and CALPHAD Concepts. TMS Annual Meeting and Exhibition, San Diego, CA, USA (2023)

Neugebauer, J.; Hickel, T.; Körmann, F.; Todorova, M.: Materials design and discovery in high-dimensional chemical and structural configuration spaces. International Conference on Materials Science, Engineering & Technology (Keynote talk), Singapore, Singapore (2022)

Neugebauer, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Surface adsorption under UHV conditions and in an electrochemical environment: An ab initio based comparison. 73rd Annual Meeting of the International Society of Electrochemistry, virtual (2022)

Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: The role of water at electrified solid/liquid Interfaces under potential control. Materials Science, Engineering & Technology International Conference, Singapore, Singapore (2022)

Todorova, M.; Surendralal, S.; Wang, Z.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into Electrified Solid/Liquid Interfaces from Ab initio and Atomistic Molecular Dynamics Simulations. 73th Annual Meeting of the International Society of Electrochemistry (Keynote talk), Online (2022)

Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: The role of water at electrified solid/liquid under potential control. Psi-k 2020 Conference, Lausanne, Switzerland (2022)

Todorova, M.; Surendralal, S.; Yoo, S.-H.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Ab initio insights into processes at solid/liquid interfaces. Workshop on the "Fundamentals of the electrochemistry of the metal/electrolyte interface", London, UK (2022)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Insights into processes at electrified solid/liquid interfaces from ab initio molecular dynamics simulations. CMWS Water in Energy Research and Technology workshop, DESY, Hamburg, Germany , Online (2022)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Processes at solid/liquid interfaces – insights from ab initio molecular dynamics simulations with potential control. AMaSiS 2021 Online - Applied Mathematics and Simulation for Semiconductors and Electrochemical Systems, Berlin, Germany (2021)

Neugebauer, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Identifying and understanding corrosion reactions: An ab initio approach. ICASS - 4th International Conference on Applied Surface Science, Virtual Conference (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICACES/BENCh Virtual Summer School 2021, Göttingen, Germany (2021)

Todorova, M.; Yoo, S.-H.; Vatti, A. K.; Neugebauer, J.: From Semiconductor defect chemistry to electrochemistry. ICACES/BENCh Virtual Summer School 2021, Göttingen, Germany (2021)

Hickel, T.; Janßen, J.; Sözen, H. I.; Sreekala, L.; Körmann, F.; Surendralal, S.; Todorova, M.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. ICAMS Advanced Discussions, virtual, Bochum, Germany (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. ICTP-Workshop on “Physics and Chemistry of Solid/Liquid Interfaces for Energy Conversion and Storage”, Virtual Meeting, Trieste, Italy (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Hydrogen at electrified solid/liquid interfaces – insights from ab initio molecular dynamics simulations. TYC mini-workshop on “Physics and Chemistry of Solid/Liquid Interfaces”, online, London, UK (2021)

Hickel, T.; Janßen, J.; Sözen, H. I.; Körmann, F.; Surendralal, S.; Todorova, M.; Neugebauer, J.: High-throughput optimization of finite temperature phase stabilities: Concepts and application. Thermec'2021, Virtual Conference, Graz, Austria (2021)

Neugebauer, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Freysoldt, C.; Todorova, M.: Design and application of an ab initio electrochemical cell. virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, Berlin, Germany (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Freysoldt, C.; Neugebauer, J.: Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations. TMS 2021 Meeting, delivered online, Orlando, FL, USA (2021)

Todorova, M.; Surendralal, S.: Corrosion at the Quantum Level. Coffee with Max Planck, virtual seminar organized by the MPIE, Düsseldorf, Germany (2021)

Todorova, M.; Surendralal, S.; Wippermann, S. M.; Deißenbeck, F.; Neugebauer, J.: Realistic description of processes at solid/liquid interfaces by ab initio molecular dynamics simulations with potential control. MRS 2021 Fall Meeting, Hybrid Conference, Boston, MA, USA (2021)