Publications of Karsten Reuter

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

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

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

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

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

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

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

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

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

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

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

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

C. Grosu: 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

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

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

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

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

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

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

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