Publikationen von Christoph Scheurer
Alle Typen
Zeitschriftenartikel (36)
21.
Zeitschriftenartikel
158 (22), 224115 (2023)
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics 22.
Zeitschriftenartikel
6 (1), 113 (2023)
Electrolyte contact changes nano-Li4Ti5O12 bulk properties via surface polarons. Communications Chemistry 23.
Zeitschriftenartikel
444, 141966 (2023)
The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 24.
Zeitschriftenartikel
6 (2), S. 112 - 121 (2023)
Exploring catalytic reaction networks with machine learning. Nature Catalysis 25.
Zeitschriftenartikel
: Sr Surface Enrichment in Solid Oxide Cells – Approaching the Limits of EDX Analysis by Multivariate Statistical Analysis and Simulations. ChemCatChem 14 (19), e202200300 (2022)
26.
Zeitschriftenartikel
12 (17), 2950 (2022)
Tackling Structural Complexity in Li2 S-P2S5 Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials 27.
Zeitschriftenartikel
12 (17), 2912 (2022)
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg2+ Doping. Nanomaterials 28.
Zeitschriftenartikel
15 (10), e202200015 (2022)
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem 29.
Zeitschriftenartikel
433 (1), 134121 (2022)
A model-free sparse approximation approach to robust formal reaction kinetics. Chemical Engineering Journal 30.
Zeitschriftenartikel
4 (11), S. 12562 - 12569 (2021)
On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials 31.
Zeitschriftenartikel
14 (21), 6633 (2021)
Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials 32.
Zeitschriftenartikel
: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021)
33.
Zeitschriftenartikel
4 (8), S. 8583 - 8591 (2021)
Polaron-Assisted Charge Transport in Li-Ion Battery Anode Materials. ACS Applied Energy Materials 34.
Zeitschriftenartikel
: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. Advanced Energy Materials 11 (26), 2100707 (2021)
35.
Zeitschriftenartikel
: True Nature of the Transition-Metal Carbide/Liquid Interface Determines Its Reactivity. ACS Catalysis 11 (8), S. 4920 - 4928 (2021)
36.
Zeitschriftenartikel
: Visualizing the Atomic Structure Between YSZ and LSM: An Interface Stabilized by Complexions? ECS Transactions 103 (1), S. 1331 - 1337 (2021)
Vortrag (32)
37.
Vortrag
Tool Demos: Closing the Loop in Catalysis Research. Third NFDI Berlin-Brandenburg network meeting: AI as an enabler or science, Berlin, Germany (2025)
38.
Vortrag
Modelling Interface Dynamics and NMR Observables in Hybrid Solid-State-Electrolytes. German-Taiwanese AdamBatt Workshop, Yuchi Township, Taiwan (2025)
39.
Vortrag
Modelling Realistic Functional Interfaces in Energy Materials. Workshop, Electron Transfer and Dynamics at Interfaces, Kreuth, Germany (2025)
40.
Vortrag
Applications for Dense Linear Algebra Solvers on Exascale Systems. Jülich Supercomputing Centre, Forschungszentrum Jülich, Jülich, Germany (2025)