Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into Electrified Solid/Liquid Interfaces from Ab initio and Atomistic Molecular Dynamics Simulations. CECAM - Young Researchers' School on Theory and Simulation in Electrochemical Conversion Processes, Paris, France (2023)
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)
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)
Max Planck team explains dendrite propagation, paving the way for safer and longer-lasting next-generation batteries. They publish their findings in the journal Nature.
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
In this project, we employ atomistic computer simulations to study grain boundaries. Primarily, molecular dynamics simulations are used to explore their energetics and mobility in Cu- and Al-based systems in close collaboration with experimental works in the GB-CORRELATE project.