Publications of Karsten Reuter
All genres
Journal Article (343)
2022
Journal Article
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.
Journal Article
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.
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.
Journal Article
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.
Journal Article
, Karsten Reuter and Christoph Scheurer: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping.
Journal Article
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.
Journal Article
Türk, Hanna, , Christian Kunkel, Johannes Margraf and Karsten Reuter: Assessing Deep Generative Models in Chemical Composition Space.
Journal Article
Wengert, Simon, , Karsten Reuter and Johannes Margraf: A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings.
Journal Article
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.
Journal Article
, , , , , Karsten Reuter and : Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion.
Journal Article
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).
Journal Article
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.