Publications of Karsten Reuter

Thesis - PhD (27)

481.
Thesis - PhD
Döpking, S.: Error aware analysis of multi-scale reactivity models for chemical surface reactions. Freie Universität Berlin
482.
Thesis - PhD
Kunkel, C.: Data-driven Organic Semiconductor Discovery. Technische Universität München
483.
Thesis - PhD
Guhl, H.: Density functional theory study of oxygen and water adsorption on SrTiO3(001). Humboldt-Universität Berlin
484.
Thesis - PhD
Matera, S.: A First-Principles Based Multiscale Approach from the Electronic to the Continuum Regime: CO Oxidation at RuO2(110). Technische Universität Berlin Berlin
485.
Thesis - PhD
Rieger, M.: First-principles based models for lateral interactions of adsorbates. Freie Universität Berlin
486.
Thesis - PhD
Sanfilippo, A.G.: An ab-initio study of bilayer graphene using higher order quantum chemical methods. Freie Universität Berlin
487.
Thesis - PhD
McNellis, E.R.: First-principles modeling of molecular switches at surfaces. Freie Universität Berlin
488.
Thesis - PhD
Gehrke, R.: First-principles basin-hopping for the structure determination of atomic clusters. Freie Universität Berlin
489.
Thesis - PhD
Zhang, Y.: First-principles statistical mechanics approach to step decoration at solid surfaces. Freie Universität Berlin
490.
Thesis - PhD
Rogal, J.: Stability, composition and function of palladium surfaces in oxidizing environments: A first-principles statistical mechanics approach. Freie Universität Berlin

Thesis - Habilitation (1)

491.
Thesis - Habilitation
Reuter, K.: First-principles statistical mechanics for oxidation catalysis. Freie Universität Berlin Berlin

Thesis - Master (4)

492.
Thesis - Master
Huss, T.: Towards a universal machine learning interatomic potential for the xLi2S-(100 - x)P2S5 material class. Technische Universität München
493.
Thesis - Master
König, P.: Generative Adversarial Networks (GANs) for inverse design of RuO2 surfaces. Technische Universität München
494.
Thesis - Master
Sauerland, L.: Machine-learned interatomic potentials for the syngas conversion on Rhodium. Ludwig-Maximilians-Universität München
495.
Thesis - Master
Bergmann, N.: Investigation of oxidized Cu surfaces using Gaussian Approximation Potentials. Technische Universität München

Working Paper (5)

496.
Working Paper
Samtsevych, A., Y. Song, T. van der Heide, B. Aradi, B. Hourahine, R.J. Maurer, K. Reuter, C. Scheurer and C. Panosetti: DSKO: dancing through DFTB parameterization., in press.
497.
Working Paper
Müller, N.S., A.P. Fellows, B. John, A.E. Naclerio, C. Carbogno, K. Gharagozloo-Hubmann, D. Balaz, R.A. Kowalski, H. Heenen, C. Scheurer, K. Reuter, J.D. Caldwell, M. Wolf, P.R. Kidambi, M. Thämer and A. Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy., in press.
498.
Working Paper
Jakob, K., K. Reuter and J. Margraf: Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials., in press.
499.
Working Paper
Landini, E., K. Reuter and H. Oberhofer: Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications., in press.
500.
Working Paper
Neumann, F., 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.
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