Karsten Reuter

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 65

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

ACS nano

Journal of the American Chemical Society

Technical University Munich

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Technical University Munich Oct 01 2009

Germany

Full Professor :: Chemistry

Publications

Mengnan Cui, Karsten Reuter, Johannes T Margraf
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of chemical theory and computation 20 (12) (2024)
Wenbin Xu, Elias Diesen, Tianwei He, Karsten Reuter, Johannes T Margraf
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11) (2024)
Valentina Rein, Hao Gao, Hendrik H Heenen, Wissal Sghaier, Anastasios C Manikas, Christos Tsakonas, Mehdi Saedi, Johannes T Margraf, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot, Karsten Reuter, Maciej Jankowski
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS nano (2024)
Valentina Rein, Hao Gao, Hendrik H Heenen, Wissal Sghaier, Anastasios C Manikas, Christos Tsakonas, Mehdi Saedi, Johannes T Margraf, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot, Karsten Reuter, Maciej Jankowski
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS nano 18 (19) (2024)
Simon P Stier, Christoph Kreisbeck, Holger Ihssen, Matthias Albert Popp, Jens Hauch, Kourosh Malek, Marine Reynaud, T P M Goumans, Johan Carlsson, Ilian Todorov, Lukas Gold, Andreas Räder, Wolfgang Wenzel, Shahbaz Tareq Bandesha, Philippe Jacques, Francisco Garcia-Moreno, Oier Arcelus, Pascal Friederich, Simon Clark, Mario Maglione, Anssi Laukkanen, Ivano Eligio Castelli, Javier Carrasco, Montserrat Casas Cabanas, Helge Sören Stein, Ozlem Ozcan, David Elbert, Karsten Reuter, Christoph Scheurer, Masahiko Demura, Sang Soo Han, Tejs Vegge, Sawako Nakamae, Monica Fabrizio, Mark Kozdras
Materials Acceleration Platforms (MAPs) Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced materials (Deerfield Beach, Fla.) (2024)
Mengnan Cui, Karsten Reuter, Johannes T Margraf
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of chemical theory and computation (2024)
Wenbin Xu, Elias Diesen, Tianwei He, Karsten Reuter, Johannes T Margraf
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society (2024)
Wenbin Xu, Elias Diesen, Tianwei He, Karsten Reuter, Johannes T Margraf
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11) (2024)
Wenbin Xu, Elias Diesen, Tianwei He, Karsten Reuter, Johannes T Margraf
Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11) (2024)
Valentina Rein, Hao Gao, Hendrik H Heenen, Wissal Sghaier, Anastasios C Manikas, Christos Tsakonas, Mehdi Saedi, Johannes T Margraf, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot, Karsten Reuter, Maciej Jankowski
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS nano 18 (19) (2024)
Valentina Rein, Hao Gao, Hendrik H Heenen, Wissal Sghaier, Anastasios C Manikas, Christos Tsakonas, Mehdi Saedi, Johannes T Margraf, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot, Karsten Reuter, Maciej Jankowski
Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS nano 18 (19) (2024)
King Chun Lai, Sebastian Matera, Christoph Scheurer, Karsten Reuter
A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of chemical physics 159 (2) (2023)
Simeon D Beinlich, Georg Kastlunger, Karsten Reuter, Nicolas Georg Hörmann
Controlled Electrochemical Barrier Calculations without Potential Control. Journal of chemical theory and computation (2023)
Nicolas Bergmann, Nicolas Georg Hörmann, Karsten Reuter
Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of chemical theory and computation (2023)
Ke Chen, Christian Kunkel, Bingqing Cheng, Karsten Reuter, Johannes T Margraf
Physics-inspired machine learning of localized intensive properties. Chemical science 14 (18) (2023)
Sina Stocker, Hyunwook Jung, Gábor Csányi, C Franklin Goldsmith, Karsten Reuter, Johannes T Margraf
Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of chemical theory and computation (2023)
Ke Chen, Christian Kunkel, Bingqing Cheng, Karsten Reuter, Johannes T Margraf
Physics-inspired machine learning of localized intensive properties. Chemical science 14 (18) (2023)
Simiam Ghan, Elias Diesen, Christian Kunkel, Karsten Reuter, Harald Oberhofer
Interpreting ultrafast electron transfer on surfaces with a converged first-principles Newns-Anderson chemisorption function. The Journal of chemical physics 158 (23) (2023)
Thomas Mairegger, Haobo Li, Christoph Grießer, Daniel Winkler, Jakob Filser, Nicolas G Hörmann, Karsten Reuter, Julia Kunze-Liebhäuser
Electroreduction of CO 2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile. ACS catalysis 13 (9) (2023)
Thomas Mairegger, Haobo Li, Christoph Grießer, Daniel Winkler, Jakob Filser, Nicolas G Hörmann, Karsten Reuter, Julia Kunze-Liebhäuser
Electroreduction of CO 2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile. ACS catalysis 13 (9) (2023)
Virgínia Boix, Wenbin Xu, Giulio D'Acunto, Johannes Stubbe, Tamires Gallo, Marie Døvre Strømsheim, Suyun Zhu, Mattia Scardamaglia, Andrey Shavorskiy, Karsten Reuter, Mie Andersen, Jan Knudsen
Graphene as an Adsorption Template for Studying Double Bond Activation in Catalysis. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (33) (2022)
Yonghyuk Lee, Christoph Scheurer, Karsten Reuter
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem 15 (10) (2022)
Sina Stegmaier, Karsten Reuter, Christoph Scheurer
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg 2+ Doping. Nanomaterials (Basel, Switzerland) 12 (17) (2022)
Pierre Kube, Jinhu Dong, Nuria Sánchez Bastardo, Holger Ruland, Robert Schlögl, Johannes T Margraf, Karsten Reuter, Annette Trunschke
Green synthesis of propylene oxide directly from propane. Nature communications 13 (1) (2022)
Wenbin Xu, Karsten Reuter, Mie Andersen
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. Nature computational science 2 (7) (2022)
Wenbin Xu, Karsten Reuter, Mie Andersen
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representation. Nature computational science 2 (7) (2022)
Rémi Dupuy, Jakob Filser, Clemens Richter, Robert Seidel, Florian Trinter, Tillmann Buttersack, Christophe Nicolas, John Bozek, Uwe Hergerhahn, Harald Oberhofer, Bernd Winter, Karsten Reuter, Hendrik Bluhm
Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Md Ariful Ahsan, Tianwei He, Juan C Noveron, Karsten Reuter, Alain Rafael Puente Santiago, Rafael Luque
Low-dimensional heterostructures for advanced electrocatalysis: an experimental and computational perspective. Chemical Society reviews 51 (3) (2022)
Rachit Khare, Roland Weindl, Andreas Jentys, Karsten Reuter, Hui Shi, Johannes A Lercher
Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. JACS Au 2 (3) (2022)
Nikita Levin, Johannes T Margraf, Jozef Lengyel, Karsten Reuter, Martin Tschurl, Ulrich Heiz
CO 2 -Activation by size-selected tantalum cluster cations (Ta 1-16 + ): thermalization governing reaction selectivity. Physical chemistry chemical physics : PCCP 24 (4) (2022)
Pierre Kube, Jinhu Dong, Nuria Sánchez Bastardo, Holger Ruland, Robert Schlögl, Johannes T Margraf, Karsten Reuter, Annette Trunschke
Green synthesis of propylene oxide directly from propane. Nature communications 13 (1) (2022)
Hao Gao, Valentina Rein, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, Oleg V Konovalov, Maciej Jankowski, Hendrik H Heenen, Irene M N Groot, Gilles Renaud, Karsten Reuter
Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2022)
Felix Bischoff, Alexander Riss, Georg S Michelitsch, Jacob Ducke, Johannes V Barth, Karsten Reuter, Willi Auwärter
Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion. Journal of the American Chemical Society 143 (37) (2021)
Mie Andersen, Karsten Reuter
Adsorption Enthalpies for Catalysis Modeling through Machine-Learned Descriptors. Accounts of chemical research 54 (12) (2021)
Stefan Ringe, Nicolas Georg Hörmann, Harald Oberhofer, Karsten Reuter
Implicit Solvation Methods for Catalysis at Electrified Interfaces. Chemical reviews 122 (12) (2021)
Maciej Jankowski, Mehdi Saedi, Francesco La Porta, Anastasios C Manikas, Christos Tsakonas, Juan S Cingolani, Mie Andersen, Marc de Voogd, Gertjan J C van Baarle, Karsten Reuter, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot
Correction to Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. ACS nano (2021)
Maciej Jankowski, Mehdi Saedi, Francesco La Porta, Anastasios C Manikas, Christos Tsakonas, Juan S Cingolani, Mie Andersen, Marc de Voogd, Gertjan J C van Baarle, Karsten Reuter, Costas Galiotis, Gilles Renaud, Oleg V Konovalov, Irene M N Groot
Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. ACS nano 15 (6) (2021)
Jakob Filser, Karsten Reuter, Harald Oberhofer
Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. Journal of chemical theory and computation 18 (1) (2021)
Christian Kunkel, Johannes T Margraf, Ke Chen, Harald Oberhofer, Karsten Reuter
Active discovery of organic semiconductors. Nature communications 12 (1) (2021)
J Matthias Kahk, Georg S Michelitsch, Reinhard J Maurer, Karsten Reuter, Johannes C Lischner
Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. The journal of physical chemistry letters 12 (38) (2021)
Nicolas Georg Hörmann, Karsten Reuter
Thermodynamic cyclic voltammograms: peak positions and shapes. Journal of physics. Condensed matter : an Institute of Physics journal 33 (26) (2021)
Bingqing Cheng, Ryan-Rhys Griffiths, Simon Wengert, Christian Kunkel, Tamas Stenczel, Bonan Zhu, Volker L Deringer, Noam Bernstein, Johannes T Margraf, Karsten Reuter, Gabor Csanyi
Mapping Materials and Molecules. Accounts of chemical research 53 (9) (2020)
Sina Stocker, Gábor Csányi, Karsten Reuter, Johannes T Margraf
Machine learning in chemical reaction space. Nature communications 11 (1) (2020)
Chiara Panosetti, Artur Engelmann, Lydia Nemec, Karsten Reuter, Johannes T Margraf
Learning to Use the Force: Fitting Repulsive Potentials in Density-Functional Tight-Binding with Gaussian Process Regression. Journal of chemical theory and computation 16 (4) (2020)
Simiam Ghan, Christian Kunkel, Karsten Reuter, Harald Oberhofer
Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values. Journal of chemical theory and computation 16 (12) (2020)
Georg S Michelitsch, Karsten Reuter
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches. The Journal of chemical physics 150 (7) (2019)
Tianquan Lian, Marc T M Koper, Karsten Reuter, Joseph E Subotnik
Special Topic on Interfacial Electrochemistry and Photo(electro)catalysis. The Journal of chemical physics 150 (4) (2019)
Matthias Kick, Karsten Reuter, Harald Oberhofer
Intricacies of DFT+U, Not Only in a Numeric Atom Centered Orbital Framework. Journal of chemical theory and computation 15 (3) (2019)
Christoph Hille, Stefan Ringe, Martin Deimel, Christian Kunkel, William E Acree, Karsten Reuter, Harald Oberhofer
Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme. The Journal of chemical physics 150 (4) (2019)
Hendrik H Heenen, Johannes Voss, Christoph Scheurer, Karsten Reuter, Alan C Luntz
Multi-ion Conduction in Li3OCl Glass Electrolytes. The journal of physical chemistry letters 10 (9) (2019)
Patrick Gütlein, Lucas Lang, Karsten Reuter, Jochen Blumberger, Harald Oberhofer
Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method. Journal of chemical theory and computation 15 (8) (2019)
Stefan Ringe, Harald Oberhofer, Karsten Reuter
Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions. The Journal of chemical physics 146 (13) (2018)
Moritz W Schreiber, Craig P Plaisance, Martin Baumgärtl, Karsten Reuter, Andreas Jentys, Ricardo Bermejo-Deval, Johannes A Lercher
Lewis-Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes. Journal of the American Chemical Society 140 (14) (2018)
Xiayue Li, Farren S Curtis, Timothy Rose, Christoph Schober, Alvaro Vazquez-Mayagoitia, Karsten Reuter, Harald Oberhofer, Noa Marom
Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation. The Journal of chemical physics 148 (24) (2018)
Mie Andersen, Craig P Plaisance, Karsten Reuter
Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo. The Journal of chemical physics 147 (15) (2018)
Katharina Diller, Reinhard J Maurer, Moritz Müller, Karsten Reuter
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization. The Journal of chemical physics 146 (21) (2018)
Tobias A Schaub, Johannes T Margraf, Lev N Zakharov, Karsten Reuter, Ramesh Jasti
Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie (International ed. in English) 57 (50) (2018)
Sandra Döpking, Craig P Plaisance, Daniel Strobusch, Karsten Reuter, Christoph Scheurer, Sebastian Matera
Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach. The Journal of chemical physics 148 (3) (2018)
Martin Uphoff, Georg S Michelitsch, Raphael Hellwig, Karsten Reuter, Harald Brune, Florian Klappenberger, Johannes V Barth
Assembly of Robust Holmium-Directed 2D Metal-Organic Coordination Complexes and Networks on the Ag(100) Surface. ACS nano 12 (11) (2018)
Juan M Lorenzi, Thomas Stecher, Karsten Reuter, Sebastian Matera
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions. The Journal of chemical physics 147 (16) (2018)
Johannes T Margraf, Karsten Reuter
Making the Coupled Cluster Correlation Energy Machine-Learnable. The journal of physical chemistry. A 122 (30) (2018)
Zhu Liu, Jakob Timmermann, Karsten Reuter, Christoph Scheurer
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons. The journal of physical chemistry. B 122 (2) (2017)
Karsten Reuter, Craig P Plaisance, Harald Oberhofer, Mie Andersen
Perspective: On the active site model in computational catalyst screening. The Journal of chemical physics 146 (4) (2017)
Markus Sinstein, Christoph Scheurer, Sebastian Matera, Volker Blum, Karsten Reuter, Harald Oberhofer
Efficient Implicit Solvation Method for Full Potential DFT. Journal of chemical theory and computation 13 (11) (2017)
Mie Andersen, Andrew J Medford, Jens K Nørskov, Karsten Reuter
Analyzing the Case for Bifunctional Catalysis. Angewandte Chemie (International ed. in English) 55 (17) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Karsten Reuter