Publications of Karsten Reuter
All genres
Thesis - PhD (23)
2022
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.
Thesis - Habilitation (1)
2005
Thesis - Habilitation
Reuter, Karsten: First-principles statistical mechanics for oxidation catalysis.
Thesis - Master (4)
2022
Thesis - Master
Huss, Tabea: Towards a universal machine learning interatomic potential for the xLi2S-(100 - x)P2S5 material class.
Thesis - Master
König, Patricia: Generative Adversarial Networks (GANs) for inverse design of RuO2 surfaces.
2021
Thesis - Master
Bergmann, Nicolas: Investigation of oxidized Cu surfaces using Gaussian Approximation Potentials.
Thesis - Master
Sauerland, Lena: Machine-learned interatomic potentials for the syngas conversion on Rhodium.
Working Paper (2)
2022
Working Paper
Landini, Elisabeth, Karsten Reuter and : Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications.