Publications of Karsten Reuter
All genres
Journal Article (317)
2023
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.
Journal Article
, , , , , , Karsten Reuter, and : Unlocking the performance of ternary metal (hydro)oxide amorphous catalysts via data-driven active-site engineering.
2022
Journal Article
, Tianwei He, , Karsten Reuter, and : Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective.
Journal Article
Beinlich, Simeon, Nicolas Hörmann and Karsten Reuter: Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?
Journal Article
, Wenbin Xu, , , , , , , , Karsten Reuter, and : Graphene as an Adsorption Template for Studying Double Bond Activation in Catalysis.
Journal Article
Chen, Ke, Christian Kunkel, Karsten Reuter and Johannes Margraf: Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening.
Journal Article
, , , Karsten Reuter and : Selectivity Trends and Role of Adsorbate-Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts.
Journal Article
Dupuy, Remi, , Clemens Richter, , Florian Trinter, Tillmann Buttersack, , , U. Hergenhahn, , Bernd Winter, Karsten Reuter and Hendrik Bluhm: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface.
Journal Article
Felsen, Frederic, Karsten Reuter and Christoph Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics.
Journal Article
, Karsten Reuter and : Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes.
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Gao, Hao, , , , , , , , Hendrik Heenen, , and Karsten Reuter: Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height.
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Keller, Elisabeth, Theodoros Tsatsoulis, Karsten Reuter and Johannes Margraf: Regularized second-order correlation methods for extended systems.
Journal Article
, , , Karsten Reuter, and : Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides.
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Kube, Pierre, Jinhu Dong, , , Robert Schlögl, Johannes Margraf, Karsten Reuter and Annette Trunschke: Green synthesis of propylene oxide directly from propane.
Journal Article
Lee, Yonghyuk, Christoph Scheurer and Karsten Reuter: Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution.
Journal Article
, Johannes Margraf, , Karsten Reuter, and : CO2-Activation by size-selected tantalum cluster cations (Ta1–16+): thermalization governing reaction selectivity.
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Li, Haobo and Karsten Reuter: Ab Initio Thermodynamic Stability of Carbide Catalysts under Electrochemical Conditions.
Journal Article
Margraf, Johannes, , and Karsten Reuter: Heterogeneous Catalysis in Grammar School.
Journal Article
, , , , , , , , , , , , Karsten Reuter, and : Human- and machine-centred designs of molecules and materials for sustainability and decarbonization.