Publications of Karsten Reuter

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

Chen, K.: Molecular Machine Learning for Complex Electronic Properties. Technische Universität München

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

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

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

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

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

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

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

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

Stocker, S.: Transferability in chemical machine learning. Technische Universität München

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

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

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

Kunkel, C.: Data-driven Organic Semiconductor Discovery. Technische Universität München

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

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

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

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

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