Publications of Karsten Reuter
All genres
Journal Article (317)
2022
Journal Article
, Nicolas Hörmann, and Karsten Reuter: Implicit Solvation Methods for Catalysis at Electrified Interfaces.
Journal Article
Staacke, Carsten, Tabea Huss, Johannes Margraf, Karsten Reuter and Christoph Scheurer: Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials.
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Staacke, Carsten, Simon Wengert, Christian Kunkel, , Karsten Reuter and Johannes Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model.
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, Karsten Reuter and Christoph Scheurer: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping.
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Türk, Hanna, Thomas Götsch, Franz Schmidt, Adnan Hammud, Danail Ivanov, , , , Robert Schlögl, Karsten Reuter, Axel Knop-Gericke, Thomas Lunkenbein and Christoph Scheurer: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations.
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Türk, Hanna, , Christian Kunkel, Johannes Margraf and Karsten Reuter: Assessing Deep Generative Models in Chemical Composition Space.
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Wengert, Simon, , Karsten Reuter and Johannes Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings.
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Xu, Wenbin, Karsten Reuter and : Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation.
Journal Article
, , , , , , , , , , , , , Karsten Reuter, and : Unconventional direct synthesis of Ni3N/Ni with N-vacancies for efficient and stable hydrogen evolution.
2021
Journal Article
and Karsten Reuter: Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors.
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, , , , , Karsten Reuter and : Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion.
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Dávila López, Alexandra, Thorben Eggert, Karsten Reuter and Nicolas Hörmann: Static and dynamic water structures at interfaces: A case study with focus on Pt(111).
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Götsch, Thomas, Hanna Türk, Franz Schmidt, , , Robert Schlögl, Karsten Reuter, , Axel Knop-Gericke, Christoph Scheurer and Thomas Lunkenbein: Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions?
Journal Article
, , , , , , Thomas Götsch, , , , , David Egger, Christoph Scheurer, Karsten Reuter and : True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity.
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Hörmann, Nicolas and Karsten Reuter: Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions.
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Hörmann, Nicolas and Karsten Reuter: Thermodynamic cyclic voltammograms: peak positions and shapes.
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, , , , , , , , , Karsten Reuter, , , and : Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper.
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, , , Karsten Reuter and : Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations.
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, , , and Karsten Reuter: Active discovery of organic semiconductors.
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.