Publications of Karsten Reuter
All genres
Thesis - PhD (26)
2023
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.
Thesis - PhD
Lee, Yonghyuk: Discoveries in Ruthenium Oxide-Based Catalysts: From Morphology Control for Water Electrolysis to Surface Structure Determination via Machine-Learning.
Thesis - PhD
Staacke, Carsten: The Electrostatic Gap: Combining Electrostatic Models with Machine Learning Potentials.
Thesis - PhD
Stegmaier, Sina: Working Interfaces in Solid-State Electrolytes: A Theoretical Approach towards Realistic Models.
Thesis - PhD
Stocker, Sina: Transferability in chemical machine learning.
Thesis - PhD
Türk, Hanna: Active Site Generation and Deactivation of the Air Electrode in High Temperature Solid Oxide Cells.
Thesis - PhD
Wengert, Simon: Kernel-based machine learning for molecular crystal structure prediction.
Thesis - PhD
Xu, Wenbin: Tailoring complexity for catalyst discovery using physically motivated machine learning.
2021
Thesis - PhD
Kunkel, Christian: Data-driven Organic Semiconductor Discovery.
2010
Thesis - PhD
Guhl, Hannes: Density functional theory study of oxygen and water adsorption on SrTiO3(001).
Thesis - PhD
Matera, Sebastian: A First-Principles Based Multiscale Approach from the Electronic to the Continuum Regime: CO Oxidation at RuO2(110).
Thesis - PhD
McNellis, Erik R.: First-principles modeling of molecular switches at surfaces.
Thesis - PhD
Rieger, Michael: First-principles based models for lateral interactions of adsorbates.
Thesis - PhD
Sanfilippo, Andrea G.: An ab-initio study of bilayer graphene using higher order quantum chemical methods.
2009
Thesis - PhD
Gehrke, Ralf: First-principles basin-hopping for the structure determination of atomic clusters.
2008
Thesis - PhD
Zhang, Yongsheng: First-principles statistical mechanics approach to step decoration at solid surfaces.
2006
Thesis - PhD
Rogal, Jutta: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach.