Publikationen von Christoph Scheurer

Ducci, G., M.A. Kouyate, K. Reuter und C. Scheurer: Pareto-based optimization of sparse dynamical systems. The Journal of Chemical Physics 162 (11), 114118 (2025).

Felsen, F., C. Kunkel, K. Reuter und C. Scheurer: Adaptive designs for the exploration of reaction kinetic phase transitions. Chemical Engineering Journal Advances 22, 100746 (2025).

Harper, A.F., T. Huss, S.S. Köcher und C. Scheurer: Tracking Li atoms in real-time with ultra-fast NMR simulations. Faraday Discussions 255, 411–428 (2025).

Jin, L., F.P. Bereck, J. Granwehr und C. Scheurer: Extending Equivalent Circuit Models for State of Charge and Lifetime Estimation. Electrochemical Science Advances 5 (2), e202400024 (2025).

Lai, K.C., P. Poths, S. Matera, C. Scheurer und K. Reuter: Automatic Process Exploration through Machine Learning Assisted Transition State Searches. Physical Review Letters 134 (9), 096201 (2025).

Poths, P., K.C. Lai, F. Cannizzaro, C. Scheurer, S. Matera und K. Reuter: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales. ACS Catalysis 15 (1), 514–522 (2025).

Scheurer, C. und K. Reuter: Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis. Nature Catalysis 8 (1), 13–19 (2025).

van der Merwe, M., Y. Lee, R.E. Wibowo, T. Kokumai, A. Efimenko, M.D. Arce, C.E. Jimenez, B. Howchen, R. Suarez Anzorena, I. Lucentini, C. Escudero, G. Schuck, Z. Kochovski, M. Favaro, D. E. Starr, K. Reuter, C. Scheurer, M. Bär und R. Garcia-Diez: Unravelling the mechanistic complexity of the oxygen evolution reaction and Ir dissolution in highly dimensional amorphous hydrous iridium oxides. Energy & Environmental Science 18 (3), 1214–1231 (2025).

Vuijk, M., G. Ducci, L. Sandoval, M. Pietsch, K. Reuter, T. Lunkenbein und C. Scheurer: Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy. Microscopy and Microanalysis 31 (1), ozae130 (2025).

Demir, S., A. Tekin, Y.-T. Chan, C. Scheurer, K. Reuter, A.C. Luntz und J. Voss: Factors Affecting the Electron Conductivity in Single Crystal Li₇La₃Zr₂O₁₂ and Li₇P₃S₁₁. ACS Applied Energy Materials 7 (6), 2392–2404 (2024).

Kunkel, C., F. Rüther, F. Felsen, C.W.P. Pare, A. Terzi, R. Baumgarten, E. Gioria, R.N. d’Alnoncourt, C. Scheurer, F. Rosowski und K. Reuter: Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene. ACS Catalysis 14 (11), 9008–9017 (2024).

Li, Z., E. Öztuna, K. Skorupska, O. Vinogradova, A. Jamshaid, A. Steigert, C. Rohner, M. Dimitrakopoulou, M. Prieto, C. Kunkel, M. Stredansky, P. Kube, M. Götte, A. Dudzinski, F. Girgsdies, S. Wrabetz, W. Frandsen, R. Blume, P. Zeller, M. Muske, D. Delgado Muñoz, S. Jiang, F. Schmidt, T. Köchler, M. Arztmann, A. Efimenko, J. Frisch, T. Kokumai, R. Garcia-Diez, M. Bär, A. Hammud, J. Kröhnert, A. Trunschke, C. Scheurer, T. Schmidt, T. Lunkenbein, D. Amkreutz, H. Kuhlenbeck, V.J. Bukas, A. Knop-Gericke, R. Schlatmann, K. Reuter, B. Roldan Cuenya und R. Schlögl: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024).

Masliuk, L., K. Nam, M.W. Terban, Y. Lee, P. Kube, D. Delgado Muñoz, F. Girgsdies, K. Reuter, R. Schlögl, A. Trunschke, C. Scheurer, M. Zobel und T. Lunkenbein: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), 9018–9033 (2024).

Sandoval Diaz, L., D. Cruz, M. Vuijk, G. Ducci, M. Hävecker, W. Jiang, M. Plodinec, A. Hammud, D. Ivanov, T. Götsch, K. Reuter, R. Schlögl, C. Scheurer, A. Knop-Gericke und T. Lunkenbein: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, 161–171 (2024).

Stier, S.P., C. Kreisbeck, H. Ihssen, M.A. Popp, J. Hauch, K. Malek, M. Reynaud, T.P.M. Goumans, J. Carlsson, I. Todorov, L. Gold, A. Räder, W. Wenzel, S.T. Bandesha, P. Jacques, F. Garcia-Moreno, O. Arcelus, P. Friederich, S. Clark, M. Maglione, A. Laukkanen, I.E. Castelli, J. Carrasco, M.C. Cabanas, H.S. Stein, O. Ozcan, D. Elbert, K. Reuter, C. Scheurer, M. Demura, S.S. Han, T. Vegge, S. Nakamae, M. Fabrizio und M. Kozdras: Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges. Advanced Materials 36 (45), 2407791 (2024).

Türk, H., X.Q. Tran, P. König, A. Hammud, V. Vibhu, F. Schmidt, D. Berger, S. Selve, V. Roddatis, D. Abou-Ras, F. Girgsdies, Y.-T. Chan, T. Götsch, H. Ali, I.C. Vinke, L.G.J.(B. de Haart, M. Lehmann, A. Knop-Gericke, K. Reuter, R.-A. Eichel, C. Scheurer und T. Lunkenbein: Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells. Advanced Energy Materials 2405599 (2024).

Valenzuela Reina, J., F. Civaia, A.F. Harper, C. Scheurer und S.S. Köcher: The EFG Rosetta Stone: Translating between DFT calculations and solid state NMR experiments. Faraday Discussions, im Druck.

Wang, Y., Y.-T. Chan, T. Oshima, V. Duppel, S. Bette, K. Küster, A. Gouder, C. Scheurer und B.V. Lotsch: Decoupling of Light and Dark Reactions in a 2D Niobium Tungstate for Light-Induced Charge Storage and On-Demand Hydrogen Evolution. Journal of the American Chemical Society 146 (37), 25467–25476 (2024).

Anníes, S., C. Scheurer und C. Panosetti: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023).

Lai, K.C., S. Matera, C. Scheurer und K. Reuter: A fuzzy classification framework to identify equivalent atoms in complex materials and molecules. The Journal of Chemical Physics 159 (2), 024129 (2023).