Christoph Scheurer (C Scheurer)

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 13

Top Topics

Density Functional Theory

Molecular Dynamics

Top Venues

The journal of physical chemistry letters

The Journal of chemical physics

Nanomaterials (Basel, Switzerland)

The journal of physical chemistry. A

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

Publications

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)
Chiara Panosetti, Yonghyuk Lee, Artem Samtsevich, Christoph Scheurer
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of chemical physics 158 (22) (2023)
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)
Carsten G Staacke, Tabea Huss, Johannes T Margraf, Karsten Reuter, Christoph Scheurer
Tackling Structural Complexity in Li 2 S-P 2 S 5 Solid-State Electrolytes Using Machine Learning Potentials. Nanomaterials (Basel, Switzerland) 12 (17) (2022)
Simon Anniés, Chiara Panosetti, Maria Voronenko, Dario Mauth, Christiane Rahe, Christoph Scheurer
Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials (Basel, Switzerland) 14 (21) (2021)
Chiara Panosetti, Simon B Anniés, Cristina Grosu, Stefan Seidlmayer, Christoph Scheurer
DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential. The journal of physical chemistry. A 125 (2) (2021)
Chan-En Fang, Yi-Chen Tsai, Christoph Scheurer, Chi-Cheng Chiu
Revised Atomic Charges for OPLS Force Field Model of Poly(Ethylene Oxide): Benchmarks and Applications in Polymer Electrolyte. Polymers 13 (7) (2021)
Matthias Kick, Cristina Grosu, Markus Schuderer, Christoph Scheurer, Harald Oberhofer
Mobile Small Polarons Qualitatively Explain Conductivity in Lithium Titanium Oxide Battery Electrodes. The journal of physical chemistry letters 11 (7) (2020)
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)
Simone S Köcher, Stephan Düwel, Christian Hundshammer, Steffen J Glaser, Franz Schilling, Josef Granwehr, Christoph Scheurer
Ab Initio Simulation of pH-Sensitive Biomarkers in Magnetic Resonance Imaging. The journal of physical chemistry. A 122 (40) (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)
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)