Karsten Reuter

Fritz Haber Institute of the Max Planck Society — Germany

Materials Science · Physical Sciences

84h-index27.5kcitations542works7.12yr avg
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Research Topics

Machine Learning in Materials Science(138), Advanced Chemical Physics Studies(133), Catalytic Processes in Materials Science(127), Catalysis and Oxidation Reactions(82), Electrocatalysts for Energy Conversion(79)

Publications542 total

Model driven adaptive design with concentration profiles
The Journal of Chemical Physics·2025Open Access
Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions
Advanced Materials·2025Open Access
Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon‐Enhanced Sum‐Frequency Microscopy
Advanced Materials·2025· 1 citedOpen Access
A foundation model for atomistic materials chemistry
The Journal of Chemical Physics·2025· 65 citedOpen Access
Simulating Quadrupolar NMR Dynamics in Solid Electrolyte Li10GeP2S12
2025Open Access
Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation At Cu(111)
Advanced Science·2025· 1 citedOpen Access
Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery
Advanced Materials·2025· 1 citedOpen Access
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings
The Journal of Chemical Physics·2025
Machine Learning the Energetics of Electrified Solid-Liquid Interfaces
Physical Review Letters·2025· 3 citedOpen Access
Pushing charge equilibration-based machine learning potentials to their limits
npj Computational Materials·2025· 3 citedOpen Access
Reproducibility in Electrocatalysis
2025· 1 citedOpen Access
On Boltzmann averaging in <i>ab initio</i> thermodynamics
The Journal of Chemical Physics·2025· 3 citedOpen Access
Prospects of AI in advancing green hydrogen production: From materials to applications
Applied Physics Reviews·2025· 1 citedOpen Access
Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)
2025Open Access
Multiscale Microscopy via Automation: Dual Magnification ESEM Imaging by Frame Alternation
arXiv (Cornell University)·2025Open Access
Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery
2025· 2 cited
Coupling all-electron full-potential density functional theory with grid-based continuum embeddings
arXiv (Cornell University)·2025Open Access
Author Correction: Exploring mesoscopic mass transport effects on electrocatalytic selectivity
Nature Catalysis·2025Open Access
Model Driven Adaptive Design with Concentration Profiles
2025· 1 citedOpen Access
Model Driven Adaptive Design with Concentration Profiles
2025· 1 citedOpen Access
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Frequent Co-authors

Matthias Scheffler(22), Johannes T. Margraf(6), Harald Oberhofer(5), Catherine Stampfl(5), M. V. Ganduglia-Pirovano(5), Mie Andersen(4), Jutta Rogal(4), Volker Blüm(3), Alexandre Tkatchenko(3), M. Todorova(3), Xinguo Ren(2), Erik R. McNellis(2), Jörg Meyer(2), Jörg Behler(2), Johannes A. Lercher(2), Christoph Scheurer(2), Ulrich Starke(2), Nicolas G. Hörmann(2), Noam Bernstein(2), Volker L. Deringer(2)