Publications of Karsten Reuter

Wengert, S.; Kunkel, C.; Margraf, J.; Reuter, K.: Accelerating molecular materials discovery with machine-learning. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 40 - 41. Max Planck Computing and Data Facility, Garching (2021)

Reuter, K.; Metiu, H.: A Decade of Computational Surface Catalysis. In: Handbook of Materials Modeling, 2. Ed. Ed., pp. 1309 - 1319 (Eds. Andreoni, W.; Yip, S.). Springer, Cham (2020)

Carbogno, C.; Groß, A.; Meyer, J.; Reuter, K.: O₂ Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation. In: Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces, pp. 389 - 419 (Eds. Díez Muiño, R.; Busnengo, H. F.). Springer, Berlin, Heidelberg (2013)

Reuter, K.: First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Concepts, status, and frontiers. In: Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System, pp. 71 - 111 (Ed. Deutschmann, O.). Wiley-VCH, Weinheim (2012)

Reuter, K.: Nanometer and subnanometer thin oxide films at surfaces of late transition metals. In: Nanocatalysis, pp. 343 - 376 (Eds. Heiz, U.; Landman, U.). Springer, Berlin (2006)

Reuter, K.; Stampfl, C.; Scheffler, M.: Ab initio atomistic thermodynamics and statistical mechanics of surface properties and functions. In: Handbook of Materials Modeling, pp. 149 - 194 (Ed. Yip, S.). Springer, Dordrecht (2005)

Hermann, K.; Reuter, K.: Theoretische Bausteine zum Verständnis katalytischer Reaktionen an Übergangsmetall-Oxidoberflächen. In: MPG Jahrbuch. Max-Planck-Gesellschaft, Munich (2003)

Rogal, J.; Reuter, K.: Ab initio atomistic thermodynamics for surfaces: A primer. In: Experiment, Modeling and Simulation of Gas-Surface Interactions for Reactive Flows in Hypersonic Flights, pp. 2-1 - 2-18. VT-142 RTO AVT/VKI Lecture Series, von Karman Institute, Rhode St. Genèse, Belgium, February 06, 2006 - February 10, 2006. NATO Research and Technology Organisation, Neuilly-sur-Seine (2007)

Reuter, K.: Out of the Crystalline Comfort Zone: Tackling Working Interfaces With Machine Learning. 11th Triennial Congress of the International Society for Theoretical Chemical Physics, Qingdao, China (2024)

Reuter, K.: Beyond Crystallinity and Throughput: Machine Learning Accelerated Materials Discovery for Energy Conversion and Storage. Armourers and Brasiers' Cambridge Forum, Department of Materials Science & Metallurgy, University of Cambridge, Cambridge, UK (2024)

Reuter, K.: Exploring Catalytic Reaction Networks With Machine Learning. Global Conference on Materials in an Explosively Growing Information World, CIMTEC 2024, Montecatini Terme, Italy (2024)

Reuter, K.: Beyond Crystallinity and Throughput: Machine Learning Accelerated Materials Discovery for Energy Conversion and Storage. DA&ML Community Seminar, BASF, Online Event (2024)

Reuter, K.: Machine Learning Accelerated Materials Discovery for Energy Conversion and Storage. Conference on Porous Materials in Energy Science, Herrsching, Germany (2024)

Reuter, K.: Exploring Catalytic Reaction Networks With Machine Learning. Workshop, Computational Materials Sciences for Efficient Water Splitting COST18234, Vienna, Austria (2024)

Reuter, K.: Exploring Catalytic Reaction Networks With Machine Learning. Workshop, Carbon Management in Chemical Industry, Indo-German Science & Technology Centre, IGSTC, Mumbai, India (2024)

Reuter, K.: Machine Learning for (Dynamic) Heterogeneous Catalysis. Graduate School, DFG Priority Program SPP2080 DynaKat, Berlin, Germany (2024)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. Colloquium, CRC 1114 Scaling Cascades in Complex Systems, Freie Universität, Berlin, Germany (2023)

Reuter, K.: Data-Enhanced Multiscale Modelling of Operando Energy Conversion Systems. HPC Workshop, AI and Data-Intensive Applications, Max Planck Computing and Data Facility, Kreuth, Germany (2023)

Reuter, K.: Multiscale Modelling of Operando Energy Conversion Systems. EnergyDays, Energy Conversion and Storage, Eindhoven Institute for Renewable Energy Systems, EIRES, Eindhoven, Netherlands (2023)

Reuter, K.: Data-Enhanced Multiscale Theory of Operando Energy Conversion Systems. International Conference on Data-Integrated Simulation Science (SimTech2023), Stuttgart, Germany (2023)