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All papers authored by Karsten Reuter

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2023 Simeon D. Beinlich

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, Georg Kastlunger

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, Karsten Reuter

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, Nicolas G. Hörmann

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Controlled Electrochemical Barrier Calculations without Potential Control

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2021 Jakob Timmermann

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, Carsten G. Staacke, Johannes T. Margraf

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, Christoph Scheurer

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, Karsten Reuter

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Data-efficient iterative training of Gaussian approximation potentials: Application to surface structure determination of rutile IrO2 and RuO2

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2018 Christoph Hille, Stefan Ringe

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, Martin Deimel

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, Christian Kunkel, William E. Acree

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, Karsten Reuter

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, Harald Oberhofer

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Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

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Zhu Liu, Thomas Stecher

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, Harald Oberhofer

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, Karsten Reuter

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, Christoph Scheurer

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Response properties at the dynamic water/dichloroethane liquid–liquid interface

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Martin Franz

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, Chiara Panosetti

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, Jan Große, Tim Amrhein, Karsten Reuter

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, Mario Dähne

Atomic scale switches based on self-assembled surface magic clusters

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Sandra Döpking, Craig P. Plaisance

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, Daniel Strobusch, Karsten Reuter

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, Christoph Scheurer, Sebastian Matera

Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach

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2017 Simon P. Rittmeyer

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, Vanessa J. Bukas

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, Karsten Reuter

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Energy dissipation at metal surfaces

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Zhen Yao, Karsten Reuter

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First-Principles Computational Screening of Dopants to Improve the Deacon Process over RuO2

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Juan M. Lorenzi

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, Thomas Stecher

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, Karsten Reuter

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, Sebastian Matera

Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions

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Mie Andersen

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, Craig P. Plaisance

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, Karsten Reuter

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Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo

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Katharina Diller

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, Reinhard J. Maurer

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, Moritz Müller

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, Karsten Reuter

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Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization

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Stefan Ringe

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, Harald Oberhofer

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, Karsten Reuter

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Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions

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Karsten Reuter

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, Craig P. Plaisance, Harald Oberhofer

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Perspective: On the active site model in computational catalyst screening

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Vanessa J. Bukas

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, Karsten Reuter

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Phononic dissipation during “hot” adatom motion: A QM/Me study of O2dissociation at Pd surfaces

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2016 Konstantin Krautgasser

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, Chiara Panosetti

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, Dennis Palagin

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, Karsten Reuter

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, Reinhard J. Maurer

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Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates

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