Publications of Karsten Reuter

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

V. Belova, H. Gao, W. Sghaier, A. Manikas, M. Saedi, H. Heenen, C. Galiotis, G. Renaud, O.V. Konovalov, I.M.N. Groot, K. Reuter and M. Jankowski: Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper during Chemical Vapor Deposition., in press.

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.