Publications of Karsten Reuter

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)

McNellis, E. R.: First-principles modeling of molecular switches at surfaces. Dissertation, Freie Universität, Berlin (2010)

Gehrke, R.: First-principles basin-hopping for the structure determination of atomic clusters. Dissertation, Freie Universität, Berlin (2009)

Zhang, Y.: First-principles statistical mechanics approach to step decoration at solid surfaces. Dissertation, Freie Universität, Berlin (2008)

Rogal, J.: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach. Dissertation, Freie Universität, Berlin (2006)

Reuter, K.: First-principles statistical mechanics for oxidation catalysis. Habilitation, Freie Universität Berlin, Berlin (2005)

Huss, T.: Towards a universal machine learning interatomic potential for the xLi₂S-(100 - x)P₂S₅ material class. Master, Technische Universität, München (2022)

König, P.: Generative Adversarial Networks (GANs) for inverse design of RuO₂ surfaces. Master, Technische Universität, München (2022)