Publications of Karsten Reuter
All genres
Talk (96)
2021
Talk
Reuter, Karsten: Ab Initio Thermodynamics and Heterogeneous Catalysis.
(FHI-aims Tutorial Series, Online Event, Nov 2021).
Talk
Reuter, Karsten: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems.
(Archers Conference, Heraklion, Greece, Online Event, Dec 2021).
2020
Talk
Reuter, Karsten: Merging Multiscale Theory and Data Sciences to Tackle Operando Energy Conversion Systems.
(Distinguished Lecture Series on Catalysis, University of Central Florida, Online Event, Oct 2020).
Talk
Reuter, Karsten: Current Challenges in First-Principles Modelling of Electrocatalysis.
(Seminar, Department of Chemistry and Electrochemistry, Imperial College London, Online Event, Nov 2020).
Talk
Reuter, Karsten: Knowledge-Based Approaches in Catalysis and Energy Modelling.
(6th International Conference on Electronic Materials and Nanotechnology for Green Environment, Online Event, Nov 2020).
Talk
Reuter, Karsten: Multiscale Theory of Operando Energy Conversion Systems.
(Condensed Matter Conference CMD2020GEFES, Online Event, Sep 2020).
Talk
Reuter, Karsten: Knowledge-Based Approaches in Catalysis and Energy Modelling.
(10. ProcessNet-Jahrestagung und 34. DECHEMA-Jahrestagung der Biotechnologen 2020, Online Event, Sep 2020).
Talk
Reuter, Karsten: Finding the Right Bricks for Molecular Legos – Data Mining Approaches to Organic Semiconductor Design.
(2020 MRS Fall Meeting & Exhibit, Online Event, Nov 2020).
Talk
Reuter, Karsten: Knowledge-Based Approaches in Catalysis and Energy Modelling.
(Workshop, Centre Européen de Calcul Atomique et Moléculaire, CECAM-DE-MM1P, Online Event, Oct 2020).
Thesis - PhD (27)
2025
Thesis - PhD
Cui, Mengnan: Density Functional Tight Binding Theory Informed Multi-fidelity Machine Learning.
Thesis - PhD
Dudzinski, Alexandra: First Step of the Oxygen Reduction Reaction: A Computational Study of O2 Adsorption at Electrified Metal/Water Interfaces.
Thesis - PhD
Oschinski, Hedda: Efficient Modeling of Interfacial Capacitance Effects in Computational Electrochemistry.
2024
Thesis - PhD
Eggert, Thorben: Structure and Energetics of Metal-Water Interfaces from Atomistic Simulations.
2023
Thesis - PhD
Annies, Simon: Meso-scale modeling of the structural, electronic and transport properties governing (dis-)charging processes in lithium intercalated graphite anodes.
Thesis - PhD
Chen, Ke: Molecular Machine Learning for Complex Electronic Properties.
Thesis - PhD
Deimel, Martin: Ab Initio Studies of the Activity and Selectivity of Transition Metal Catalysts for CO Hydrogenation.
Thesis - PhD
Ghan, Simiam: Electronic Couplings from Density Functional Theory: Quantitative Approaches.
Thesis - PhD
Landini, Elisabeth: Machine Learning Based Screening of Double Perovskites for Photovoltaic Applications.
2022
Thesis - PhD
Döpking, Sandra: Error aware analysis of multi-scale reactivity models for chemical surface reactions.
Thesis - PhD
Grosu, Cristina: Capturing ion dynamics in lithium intercalated graphite: bridging the gap between experiment and theory through advanced nuclear magnetic resonance and multiscale modeling.