Publications of Karsten Reuter

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

R. Gehrke: First-principles basin-hopping for the structure determination of atomic clusters. Freie Universität Berlin

Y. Zhang: First-principles statistical mechanics approach to step decoration at solid surfaces. Freie Universität Berlin

J. Rogal: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach. Freie Universität Berlin

K. Reuter: First-principles statistical mechanics for oxidation catalysis. Freie Universität Berlin Berlin

T. Huss: Towards a universal machine learning interatomic potential for the xLi₂S-(100 - x)P₂S₅ material class. Technische Universität München

P. König: Generative Adversarial Networks (GANs) for inverse design of RuO₂ surfaces. Technische Universität München

L. Sauerland: Machine-learned interatomic potentials for the syngas conversion on Rhodium. Ludwig-Maximilians-Universität München

N. Bergmann: Investigation of oxidized Cu surfaces using Gaussian Approximation Potentials. Technische Universität München

E. Landini, K. Reuter and H. Oberhofer: Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications., in press.

F. Neumann, J. Margraf, K. Reuter and A. Bruix: Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm., in press.