Publications of Karsten Reuter
All genres
Journal Article (319)
2022
Journal Article
433 (1), 134121 (2022)
A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal
Journal Article
2 (3), pp. 613 - 622 (2022)
Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. JACS Au
Journal Article
3 (1), 015032 (2022)
Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology
Journal Article
24 (8), pp. 4796 - 4808 (2022)
Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics
Journal Article
126 (6), pp. 2931 - 2936 (2022)
Heterogeneous Catalysis in Grammar School. The Journal of Physical Chemistry C
Journal Article
51 (3), pp. 812 - 828 (2022)
Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society Reviews
Journal Article
24 (4), pp. 2623 - 2629 (2022)
CO2-Activation by size-selected tantalum cluster cations (Ta1–16+): thermalization governing reaction selectivity. Physical Chemistry Chemical Physics
Journal Article
156 (2), 024106 (2022)
Regularized second-order correlation methods for extended systems. The Journal of Chemical Physics
Journal Article
18 (1), pp. 461 - 478 (2022)
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of Chemical Theory and Computation
Journal Article
15 (1), pp. 185 - 195 (2022)
Unconventional direct synthesis of Ni3N/Ni with N-vacancies for efficient and stable hydrogen evolution. Energy & Environmental Science 2021
Journal Article
155 (24), 244107 (2021)
Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO2 and RuO2. The Journal of Chemical Physics
Journal Article
4 (11), pp. 12562 - 12569 (2021)
On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials
Journal Article
155 (19), 194702 (2021)
Static and dynamic water structures at interfaces: A case study with focus on Pt(111). The Journal of Chemical Physics
Journal Article
421 (1), 129434 (2021)
In situ kinetic studies of CVD graphene growth by reflection spectroscopy. Chemical Engineering Journal
Journal Article
12 (38), pp. 9353 - 9359 (2021)
Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The Journal of Physical Chemistry Letters
Journal Article
8 (18), 2100967 (2021)
Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces
Journal Article
143 (37), pp. 15131 - 15138 (2021)
Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion. Journal of the American Chemical Society
Journal Article
11 (26), 2100707 (2021)
Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials
Journal Article
33 (26), 264004 (2021)
Thermodynamic cyclic voltammograms: peak positions and shapes. Journal of Physics: Condensed Matter
Journal Article
15 (6), pp. 9638 - 9648 (2021)
Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. ACS Nano