Publications of Karsten Reuter
All genres
Journal Article (317)
2024
Journal Article
Yu-Te Chan, Christoph Scheurer, Karsten Reuter, and : , , Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11.
Journal Article
Hörmann, Nicolas, Simeon Beinlich and Karsten Reuter: Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry.
Journal Article
Sandoval Diaz, Luis, Daniel Cruz, Maurits Vuijk, Gianmarco Ducci, Michael Hävecker, Wulyu Jiang, Milivoj Plodinec, Adnan Hammud, Danail Ivanov, Thomas Götsch, Karsten Reuter, Robert Schlögl, Christoph Scheurer, Axel Knop-Gericke and Thomas Lunkenbein: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane.
Journal Article
Georg S. Michelitsch, Karsten Reuter, , and : , , Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111).
Journal Article
Xu, Wenbin, Elias Diesen, , Karsten Reuter and Johannes Margraf: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization.
2023
Journal Article
Beinlich, Simeon, , 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, , Karsten Reuter and Johannes Margraf: Physics-inspired machine learning of localized intensive properties.
Journal Article
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, , , , David Egger, , , Uwe Hergenhahn, Karsten Reuter, Bernd Winter and Hendrik Bluhm: Ångstrom-Depth Resolution with Chemical Specificity at the Liquid-Vapor Interface.
Journal Article
Dupuy, Remi, , Clemens Richter, , Florian Trinter, Tillmann Buttersack, , , Uwe Hergenhahn, , 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
Simon Wengert, , Hendrik Heenen, Karsten Reuter, and : , wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
Journal Article
Ghan, Simiam, Elias Diesen, Christian Kunkel, Karsten Reuter and : Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function.
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
Jakob Filser, Nicolas Hörmann, Karsten Reuter and : , , , , Electroreduction of CO2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile.
Journal Article
Margraf, Johannes, , Christoph Scheurer and Karsten Reuter: Exploring catalytic reaction networks with machine learning.
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Stocker, Sina, Hyunwook Jung, , Claude Franklin Goldsmith, Karsten Reuter and Johannes Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration.