Publications of Karsten Reuter
All genres
Thesis - PhD (24)
2010
Thesis - PhD
An ab-initio study of bilayer graphene using higher order quantum chemical methods. Dissertation, Freie Universität, Berlin (2010)
Thesis - PhD
First-principles modeling of molecular switches at surfaces. Dissertation, Freie Universität, Berlin (2010)
2009
Thesis - PhD
First-principles basin-hopping for the structure determination of atomic clusters. Dissertation, Freie Universität, Berlin (2009)
2008
Thesis - PhD
First-principles statistical mechanics approach to step decoration at solid surfaces. Dissertation, Freie Universität, Berlin (2008)
2006
Thesis - PhD
Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach. Dissertation, Freie Universität, Berlin (2006)
Thesis - Habilitation (1)
2005
Thesis - Habilitation
First-principles statistical mechanics for oxidation catalysis. Habilitation, Freie Universität Berlin, Berlin (2005)
Thesis - Master (4)
2022
Thesis - Master
Towards a universal machine learning interatomic potential for the xLi2S-(100 - x)P2S5 material class. Master, Technische Universität, München (2022)
Thesis - Master
Generative Adversarial Networks (GANs) for inverse design of RuO2 surfaces. Master, Technische Universität, München (2022)
2021
Thesis - Master
Machine-learned interatomic potentials for the syngas conversion on Rhodium. Master, Ludwig-Maximilians-Universität, München (2021)
Thesis - Master
Investigation of oxidized Cu surfaces using Gaussian Approximation Potentials. Master, Technische Universität, München (2021)
Working Paper (2)
2022
Working Paper
Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications. (2022)
2021
Working Paper
Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. (2021)