| First-principles approach to model electrochemical reactions: understanding the fundamental mechanisms behind Mg corrosion S Surendralal, M Todorova, MW Finnis, J Neugebauer Physical Review Letters 120 (24), 246801, 2018 | 91 | 2018 |
| pyiron: An integrated development environment for computational materials science J Janssen, S Surendralal, Y Lysogorskiy, M Todorova, T Hickel, R Drautz, ... Computational Materials Science 163, 24-36, 2019 | 89 | 2019 |
| Impact of water coadsorption on the electrode potential of H-Pt (1 1 1)-liquid water interfaces S Surendralal, M Todorova, J Neugebauer Physical Review Letters 126 (16), 166802, 2021 | 30 | 2021 |
| Development of an ab initio computational potentiostat and its application to the study of Mg corrosion S Surendralal Ruhr Universität Bochum, 2020 | 2 | 2020 |
| (Invited) Insights into Atomistic Processes at Electrified Solid/Liquid Interfaces from Ab Initio Calculations M Todorova, J Yang, S Surendralal, S Yoo, F Deissenbeck, ... 245th ECS Meeting (May 26-30, 2024), 2024 | | 2024 |
| Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt (111) S Surendralal, M Todorova, J Neugebauer Journal of Chemical Theory and Computation 20 (5), 2192-2201, 2024 | | 2024 |
| ab initio insights into hydrogen UPTAKE AND EVOLUTION ON electrified solid/liquid interfaces M Todorova, S Surendralal, Z Wang, J Neugebauer | | 2023 |
| Processes at solid/liquid interfaces–insights from ab initio molecular dynamics simulations with potential control M Todorova, S Surendralal, SM Wippermann, F Deißenbeck, ... AMaSiS 2021 Online-Applied Mathematics and Simulation for Semiconductors and …, 2021 | | 2021 |
| Identifying and understanding corrosion reactions: An ab initio approach J Neugebauer, S Surendralal, F Deißenbeck, SM Wippermann, ... ICASS-4th International Conference on Applied Surface Science, Virtual …, 2021 | | 2021 |
| High-throughput optimization of finite temperature phase stabilities: Concepts and application T Hickel, J Janßen, HI Sözen, L Sreekala, F Körmann, S Surendralal, ... ICAMS Advanced Discussions, virtual, 2021 | | 2021 |
| Hydrogen at electrified solid/liquid interfaces–insights from ab initio molecular dynamics simulations M Todorova, S Surendralal, SM Wippermann, F Deißenbeck, ... TYC mini-workshop on “Physics and Chemistry of Solid/Liquid Interfaces”, online, 2021 | | 2021 |
| Design and application of an ab initio electrochemical cell J Neugebauer, S Surendralal, F Deißenbeck, SM Wippermann, ... virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division, 2021 | | 2021 |
| Insights into processes at electrochemical solid/liquid interfaces from ab initio molecular dynamics simulations M Todorova, S Surendralal, SM Wippermann, F Deißenbeck, C Freysoldt, ... TMS 2021 Meeting, delivered online, 2021 | | 2021 |
| Corrosion at the Quantum Level M Todorova, S Surendralal Coffee with Max Planck, virtual seminar organized by the MPIE, 2021 | | 2021 |
| Realistic description of processes at solid/liquid interfaces by ab initio molecular dynamics simulations with potential control M Todorova, S Surendralal, SM Wippermann, F Deißenbeck, ... MRS 2021 Fall Meeting, Hybrid Conference, 2021 | | 2021 |
| Insights into the stability and reactivity of solid/liquid interfaces from ab initio calculations M Todorova, SH Yoo, S Surendralal, J Neugebauer 71st Annual Meeting of the International Society of Electrochemistry …, 2020 | | 2020 |
| Stability and reactivity at solid/liquid interfaces studied by ab initio calculations M Todorova, SH Yoo, S Surendralal, J Neugebauer Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Development of an computational potentiostat and its application to the study of Mg corrosion S Surendralal | | 2020 |
| Predicting atomic structure and chemical reactions at solid-liquid interfaces by first principles M Todorova, SH Yoo, S Surendralal, J Neugebauer Operando surface science–Atomistic insights into electrified solid/liquid …, 2019 | | 2019 |
| First-principles appraoch to model electrochemical reactions at solid-liquid interfaces J Neugebauer, S Surendralal, M Todorova ACS 2019 Fall Meeting & Exhibition, 2019 | | 2019 |
Jörg NeugebauerDirector, Max-Planck-Institut für Eisenforschung在 mpie.de 的电子邮件经过验证
Jörg NeugebauerDirector, Max-Planck-Institut für Eisenforschung在 mpie.de 的电子邮件经过验证