Publications of Karsten Reuter
All genres
Journal Article (318)
2021
Journal Article
, , Ke Chen, Johannes Margraf, and Karsten Reuter: Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS2.
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and Karsten Reuter: Pure non-local machine-learned density functional theory for electron correlation.
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Staacke, Carsten, Hendrik Heenen, Christoph Scheurer, , Karsten Reuter and Johannes Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials.
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, , , , , , Simon Wengert, , , Karsten Reuter, and Christoph Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte.
Journal Article
Timmermann, Jakob, Yonghyuk Lee, Carsten Staacke, Johannes Margraf, and Karsten Reuter: Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO2 and RuO2.
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, , , , Karsten Reuter and : In situ kinetic studies of CVD graphene growth by reflection spectroscopy.
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Türk, Hanna, Franz Schmidt, Thomas Götsch, Frank Girgsdies, Adnan Hammud, Danail Ivanov, , , , Karsten Reuter, Robert Schlögl, Axel Knop-Gericke, Christoph Scheurer and Thomas Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells.
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, , , , Karsten Reuter, and : Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites.
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, , Karsten Reuter and Johannes Margraf: Data-efficient machine learning for molecular crystal structure prediction.
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, and Karsten Reuter: Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity.
2020
Journal Article
, , , , , Karsten Reuter and : Self-activation of copper electrodes during CO electro-oxidation in alkaline electrolyte.
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, , , , , , , , , Karsten Reuter and : Mapping Materials and Molecules.
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, , , , Karsten Reuter and : Interface between graphene and liquid Cu from molecular dynamics simulations.
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, Karsten Reuter and : Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts.
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, , Karsten Reuter and : Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values.
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, and Karsten Reuter: Electrosorption at metal surfaces from first principles.
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, , , , , Karsten Reuter and : Size-Extensive Molecular Machine Learning with Global Representations.
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and Karsten Reuter: Active-Site Computational Screening: Role of Structural and Compositional Diversity for the Electrochemical CO2 Reduction at Mo Carbide Catalysts.
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, , , Karsten Reuter and : Learning to Use the Force: Fitting Repulsive Potentials in Density-Functional Tight-Binding with Gaussian Process Regression.
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, , Karsten Reuter and : Machine learning in chemical reaction space.