Neumann, Felix;Margraf, Johannes T.;Telari, Emanuele;Reuter, Karsten;Bruix, Albert
Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm
The Journal of Chemical Physics
2026
164
7

Zeides, P.;Bellmann-Sickert, K.;Zhang, Ru;Seel, C. J.;Most, V.;Schoeder, C. T.;Groll, M.;Gulder, T.
Unraveling the molecular basis of substrate specificity and halogen activation in vanadium-dependent haloperoxidases
Nature Communications
2025
16
1

Ghan, Simiam;Diesen, Elias;Kunkel, Christian;Reuter, Karsten;Oberhofer, Harald
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns–Anderson chemisorption function
The Journal of Chemical Physics
2023
158
23

Chen, Ke;Kunkel, Christian;Cheng, Bingqing;Reuter, Karsten;Margraf, Johannes T.
Physics-inspired machine learning of localized intensive properties
Chemical Science
2023
14
18
4913-4922

Li, Haobo;Reuter, Karsten
Ab Initio Thermodynamic Stability of Carbide Catalysts under Electrochemical Conditions
ACS Catalysis
2022
12
16
10506-10513

Türk, Hanna;Götsch, Thomas;Schmidt, Franz‐Philipp;Hammud, Adnan;Ivanov, Danail;de Haart, L. G. J. (Bert);Vinke, Izaak C.;Eichel, Rüdiger‐A.;Schlögl, Robert;Reuter, Karsten;Knop‐Gericke, Axel;Lunkenbein, Thomas;Scheurer, Christoph
Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations
ChemCatChem
2022

Beinlich, Simeon D.;Hörmann, Nicolas G.;Reuter, Karsten
Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?
ACS Catalysis
2022
6143-6148

Deimel, Martin;Prats, Hector;Seibt, Michael;Reuter, Karsten;Andersen, Mie
Selectivity Trends and Role of Adsorbate–Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts
ACS Catalysis
2022
12
13
7907-7917

Beinlich, Simeon D.;Hörmann, Nicolas G.;Reuter, Karsten
Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?
ACS Catalysis
2022
6143-6148

D’Agostino, Paul M.;Seel, Catharina J.;Ji, Xiaoqi;Gulder, Tanja;Gulder, Tobias A. M.
Biosynthesis of cyanobacterin, a paradigm for furanolide core structure assembly
Nature Chemical Biology
2022
18
6
652-658