Publications of Karsten Reuter

Eggert, T.: Structure and Energetics of Metal-Water Interfaces from Atomistic Simulations. Dissertation, Technische Universität, München (2024)

Landini, E.: Machine Learning Based Screening of Double Perovskites for Photovoltaic Applications. Dissertation, Technische Universität, München (2023)

Chen, K.: Molecular Machine Learning for Complex Electronic Properties. Dissertation, Technische Universität, München (2023)

Ghan, S.: Electronic Couplings from Density Functional Theory: Quantitative Approaches. Dissertation, Technische Universität, München (2023)

Annies, S.: Meso-scale modeling of the structural, electronic and transport properties governing (dis-)charging processes in lithium intercalated graphite anodes. Dissertation, Technische Universität, München (2023)

Deimel, M.: Ab Initio Studies of the Activity and Selectivity of Transition Metal Catalysts for CO Hydrogenation. Dissertation, Technische Universität, München (2023)

Türk, H.: Active Site Generation and Deactivation of the Air Electrode in High Temperature Solid Oxide Cells. Dissertation, Technische Universität, München (2022)

Lee, Y.: Discoveries in Ruthenium Oxide-Based Catalysts: From Morphology Control for Water Electrolysis to Surface Structure Determination via Machine-Learning. Dissertation, Technische Universität, München (2022)

Xu, W.: Tailoring complexity for catalyst discovery using physically motivated machine learning. Dissertation, Technische Universität, München (2022)

Staacke, C.: The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials. Dissertation, Technische Universität, München (2022)

Stegmaier, S.: Working Interfaces in Solid-State Electrolytes: A Theoretical Approach towards Realistic Models. Dissertation, Technische Universität, München (2022)

Stocker, S.: Transferability in chemical machine learning. Dissertation, Technische Universität, München (2022)

Wengert, S.: Kernel-based machine learning for molecular crystal structure prediction. Dissertation, Technische Universität, München (2022)

Grosu, C.: Capturing ion dynamics in lithium intercalated graphite: bridging the gap between experiment and theory through advanced nuclear magnetic resonance and multiscale modeling. Dissertation, Technische Universität, München (2022)

Döpking, S.: Error aware analysis of multi-scale reactivity models for chemical surface reactions. Dissertation, Freie Universität, Berlin (2022)

Kunkel, C.: Data-driven Organic Semiconductor Discovery. Dissertation, Technische Universität, München (2021)

Guhl, H.: Density functional theory study of oxygen and water adsorption on SrTiO3(001). Dissertation, Humboldt-Universität, Berlin (2010)

Matera, S.: A First-Principles Based Multiscale Approach from the Electronic to the Continuum Regime: CO Oxidation at RuO2(110). Dissertation, Technische Universität Berlin, Berlin (2010)

Rieger, M.: First-principles based models for lateral interactions of adsorbates. Dissertation, Freie Universität, Berlin (2010)

Sanfilippo, A. G.: An ab-initio study of bilayer graphene using higher order quantum chemical methods. Dissertation, Freie Universität, Berlin (2010)