Publications of Christoph Scheurer
All genres
Journal Article (36)
2023
Journal Article
Lee, Yonghyuk, Jakob Timmermann, Chiara Panosetti, Christoph Scheurer and Karsten Reuter: Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO2(100)-c(2 × 2) Reconstruction and (410) Vicinal.
Journal Article
Margraf, Johannes, , Christoph Scheurer and Karsten Reuter: Exploring catalytic reaction networks with machine learning.
Journal Article
Panosetti, Chiara, Yonghyuk Lee, Artem Samtsevych and Christoph Scheurer: Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide.
Journal Article
, , , , Robert Schlögl, , Christoph Scheurer and : Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons.
2022
Journal Article
Felsen, Frederic, Karsten Reuter and Christoph Scheurer: A model-free sparse approximation approach to robust formal reaction kinetics.
Journal Article
Lee, Yonghyuk, Christoph Scheurer and Karsten Reuter: Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution.
Journal Article
Staacke, Carsten, Tabea Huss, Johannes Margraf, Karsten Reuter and Christoph Scheurer: Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials.
Journal Article
, Karsten Reuter and Christoph Scheurer: Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping.
Journal Article
Türk, Hanna, Thomas Götsch, Franz Schmidt, Adnan Hammud, Danail Ivanov, , , , Robert Schlögl, Karsten Reuter, Axel Knop-Gericke, Thomas Lunkenbein and Christoph Scheurer: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations.
2021
Journal Article
, Chiara Panosetti, , , and Christoph Scheurer: Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential.
Journal Article
Götsch, Thomas, Hanna Türk, Franz Schmidt, , , Robert Schlögl, Karsten Reuter, , Axel Knop-Gericke, Christoph Scheurer and Thomas Lunkenbein: Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions?
Journal Article
, , , , , , Thomas Götsch, , , , , David Egger, Christoph Scheurer, Karsten Reuter and : True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity.
Journal Article
, Christoph Scheurer and : Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials.
Journal Article
Staacke, Carsten, Hendrik Heenen, Christoph Scheurer, , Karsten Reuter and Johannes Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials.
Journal Article
, , , , , , Simon Wengert, , , Karsten Reuter, and Christoph Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte.
Journal Article
Türk, Hanna, Franz Schmidt, Thomas Götsch, Frank Girgsdies, Adnan Hammud, Danail Ivanov, , , , Karsten Reuter, Robert Schlögl, Axel Knop-Gericke, Christoph Scheurer and Thomas Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells.
Talk (23)
2025
Talk
Scheurer, Christoph: Exploring Catalytic Reaction Networks with Machine Learning.
(GIC-EFCATS PhD Winter School, L’Aquila, Italy, Jan 2025).
Talk
Scheurer, Christoph: Measure, Data, And ... Then? Closing the Loop in Digital Catalysis.
(Science Seminar, BESSY, Berlin, Germany, Feb 2025).
Talk
Scheurer, Christoph: Modelling Realistic Functional Interfaces in Energy Materials.
(Workshop, Electron Transfer and Dynamics at Interfaces, Kreuth, Germany, Mar 2025).
2024
Talk
Scheurer, Christoph: Experiment, Data, And ... Then? Closing the Loop in Catalysis Research.
(FHI - ICAT Joint Symposium 2024, Berlin, Germany, Nov 2024).