Publications of Karsten Reuter

Journal Article (315)

2024
Journal Article
Demir, Samet, Adem Tekin, Yu-Te Chan, Christoph Scheurer, Karsten Reuter, Alan C. Luntz and Johannes Voss: Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11.
Journal Article
Weiss, Tobias, Aleksandr Baklanov, Georg S. Michelitsch, Karsten Reuter, Martin Schwarz, Manuela Garnica and Willi Auwärter: Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111).
Journal Article
Xu, Wenbin, Elias Diesen, Tianwei He, Karsten Reuter and Johannes Margraf: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization.
2023
Journal Article
Beinlich, Simeon, Georg Kastlunger, Karsten Reuter and Nicolas Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control.
Journal Article
Bergmann, Nicolas, Nicolas Hörmann and Karsten Reuter: Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions.
Journal Article
Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter and Johannes Margraf: Physics-inspired machine learning of localized intensive properties.
Journal Article
Dudzinski, Alexandra M., Alexandra Dudzinski, Elias Diesen, Hendrik Heenen, Vanessa Jane Bukas and Karsten Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O2 Adsorption at the Electrified Metal/Water Interface.
Journal Article
Dupuy, Remi, Jakob Filser, Clemens Richter, Tillmann Buttersack, Florian Trinter, Shirin Gholami, R. Seidel, C. Nicolas, J. Bozek, David Egger, H. Oberhofer, S. Thürmer, Uwe Hergenhahn, Karsten Reuter, Bernd Winter and Hendrik Bluhm: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface.
Journal Article
Dupuy, Remi, Jakob Filser, Clemens Richter, Robert Seidel, Florian Trinter, Tillmann Buttersack, Christophe Nicolas, John Bozek, Uwe Hergenhahn, Harald Oberhofer, Bernd Winter, Karsten Reuter and Hendrik Bluhm: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface.
Journal Article
Eggert, Thorben, Nicolas Hörmann and Karsten Reuter: Cavity formation at metal-water interfaces.
Journal Article
Gelžinytė, Elena, Simon Wengert, Tamás K. Stenczel, Hendrik Heenen, Karsten Reuter, Gábor Csányi and Noam Bernstein: wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
Journal Article
Jung, Hyunwook, Lena Sauerland, Sina Stocker, Karsten Reuter and Johannes Margraf: Machine-learning driven global optimization of surface adsorbate geometries.
Journal Article
Lai, King Chun, Sebastian Matera, Christoph Scheurer and Karsten Reuter: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules.
Journal Article
Lee, Yonghyuk, Jakob Timmermann, Chiara Panosetti, Christoph Scheurer and Karsten Reuter: Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)-c(2 × 2) Reconstruction and (410) Vicinal.
Journal Article
Mairegger, Thomas, Haobo Li, Christoph Grießer, Daniel Winkler, Jakob Filser, Nicolas Hörmann, Karsten Reuter and Julia Kunze-Liebhäuser: Electroreduction of CO2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile.
Journal Article
Margraf, Johannes, Hyunwook Jung, Christoph Scheurer and Karsten Reuter: Exploring catalytic reaction networks with machine learning.
Journal Article
Stocker, Sina, Hyunwook Jung, Gábor Csányi, Claude Franklin Goldsmith, Karsten Reuter and Johannes Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration.
Journal Article
Vinogradova, Olga V., Karsten Reuter and Vanessa Jane Bukas: Trends of Pd3Au(111) Alloy Surface Segregation in Oxygen, Carbon, and Nitrogen Environments.
Journal Article
Vondrák, Martin, Karsten Reuter and Johannes Margraf: q-pac: A Python package for machine learned charge equilibration models.
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