Publications of Karsten Reuter
All genres
Journal Article (344)
2025
Journal Article
F. Felsen, C. Kunkel, K. Reuter and C. Scheurer: Adaptive designs for the exploration of reaction kinetic phase transitions. Chemical Engineering Journal Advances 22, 100746 (2025).
Journal Article
E. Diesen, A. Dudzinski, K. Reuter and V.J. Bukas: Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111). ACS Catalysis 15 (7), 5403–5411 (2025).
Journal Article
E. Diesen, , , V.J. Bukas, and K. Reuter: Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations. Surface Science 754, 122694 (2025).
Journal Article
M. Cui, K. Reuter and J. Margraf: Multi-fidelity transfer learning for quantum chemical data using a robust density functional tight binding baseline. Machine Learning: Science and Technology 6 (1), 015071 (2025).
Journal Article
K.C. Lai, P. Poths, S. Matera, C. Scheurer and K. Reuter: Automatic Process Exploration through Machine Learning Assisted Transition State Searches. Physical Review Letters 134 (9), 096201 (2025).
Journal Article
G. Ducci, M.A. Kouyate, K. Reuter and C. Scheurer: Pareto-based optimization of sparse dynamical systems. The Journal of Chemical Physics 162 (11), 114118 (2025).
Journal Article
, , , , , K. Reuter and : Hydrogen Activation on Zeolite Stabilized Ni-Mo Sulfide Clusters. JACS Au 5 (2), 890–901 (2025).
Journal Article
E. Keller, , K. Reuter and J. Margraf: Exploring atom-pairwise and many-body dispersion corrections for the BEEF-vdW functional. The Journal of Chemical Physics 162 (07), 074111 (2025).
Journal Article
, Y. Lee, , , , , , , , , , , , , , K. Reuter, C. Scheurer, and : Unravelling the mechanistic complexity of the oxygen evolution reaction and Ir dissolution in highly dimensional amorphous hydrous iridium oxides. Energy & Environmental Science 18 (3), 1214–1231 (2025).
Journal Article
H.S. Pillai, H. Heenen, K. Reuter and V.J. Bukas: Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis. Current Opinion in Electrochemistry 49, 101631 (2025).
Journal Article
M. Vuijk, G. Ducci, L. Sandoval, , K. Reuter, T. Lunkenbein and C. Scheurer: Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy. Microscopy and Microanalysis 31 (1), ozae130 (2025).
Journal Article
P. Poths, K.C. Lai, F. Cannizzaro, C. Scheurer, S. Matera and K. Reuter: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales. ACS Catalysis 15 (1), 514–522 (2025).
Journal Article
C. Scheurer and K. Reuter: Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis. Nature Catalysis 8 (1), 13–19 (2025).
2024
Journal Article
H. Türk, X.Q. Tran, P. König, A. Hammud, , F. Schmidt, , , , , F. Girgsdies, Y.-T. Chan, T. Götsch, H. Ali, , , , A. Knop-Gericke, K. Reuter, , C. Scheurer and T. Lunkenbein: Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells. Advanced Energy Materials 2405599 (2024).
Journal Article
A. Dudzinski, E. Diesen, K. Reuter and V.J. Bukas: Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs Pt(111). The Journal of Physical Chemistry C 128 (49), 20886–20894 (2024).
Journal Article
Z. Li, E. Öztuna, K. Skorupska, , A. Jamshaid, , C. Rohner, , M. Prieto, C. Kunkel, , P. Kube, , A. Dudzinski, F. Girgsdies, S. Wrabetz, W. Frandsen, R. Blume, P. Zeller, , D. Delgado Muñoz, , F. Schmidt, , , , , , , , A. Hammud, J. Kröhnert, A. Trunschke, C. Scheurer, T. Schmidt, T. Lunkenbein, , H. Kuhlenbeck, V.J. Bukas, A. Knop-Gericke, , K. Reuter, B. Roldan Cuenya and R. Schlögl: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024).
Journal Article
H. Oschinski, S. Beinlich, K. Reuter and N. Hörmann: On the pH-Dependence of the Hupd Peak of Pt-Group Nanoparticles. Journal of the Electrochemical Society 171 (12), 126501 (2024).
Journal Article
, , , , , , , , , , , , , , , , , , , , , , , , , , , K. Reuter, C. Scheurer, , , , , and : Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024).
Journal Article
E. Keller, , K. Reuter and J. Margraf: Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations. The Journal of Chemical Physics 161 (7), 074104 (2024).