Reinhard J Maurer, Mag. Dr.
Affiliations: | 2017- | Department of Chemistry | University of Warwick, Coventry, England, United Kingdom |
Area:
Gas surface dynamics, electronic structure theory, computational surface science, machine learningWebsite:
Warwick.ac.uk/maurergroupGoogle:
"Reinhard Maurer"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Karsten Reuter | grad student | 2010-2014 | (Physics Tree) |
| John Charles Tully | post-doc | 2014-2017 |
Children
Sign in to add trainee| Peter Halat | grad student | ||
| Shayantan Chaudhuri | grad student | 2019-2022 | University of Warwick |
| Wojciech G. Stark | grad student | 2020-2024 | University of Warwick |
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Publications
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| Preston RJ, Ke Y, Rudge SL, et al. (2025) Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces. Journal of Chemical Theory and Computation |
| Jeong B, Abbas HG, Klein BP, et al. (2025) CO Cryo-sorption as a Surface-sensitive Spectroscopic Probe of the Active Site Density of Single-atom Catalysts. Angewandte Chemie (International Ed. in English). e202420673 |
| Box CL, Hertl N, Stark WG, et al. (2024) Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory. The Journal of Physical Chemistry Letters. 15: 12520-12525 |
| Meng G, Gardner J, Hertl N, et al. (2024) First-Principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer. Physical Review Letters. 133: 036203 |
| Bolat R, Guevara JM, Leinen P, et al. (2024) Electrostatic potentials of atomic nanostructures at metal surfaces quantified by scanning quantum dot microscopy. Nature Communications. 15: 2259 |
| Klein BP, Stoodley MA, Morgan DB, et al. (2024) Probing the role of surface termination in the adsorption of azupyrene on copper. Nanoscale |
| Stark WG, Westermayr J, Douglas-Gallardo OA, et al. (2023) Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 24168-24182 |
| Hermann J, Stöhr M, Góger S, et al. (2023) libMBD: A general-purpose package for scalable quantum many-body dispersion calculations. The Journal of Chemical Physics. 159 |
| Chaudhuri S, Logsdail AJ, Maurer RJ. (2023) Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 16187-16203 |
| Gardner J, Habershon S, Maurer RJ. (2023) Assessing Mixed Quantum-Classical Molecular Dynamics Methods for Nonadiabatic Dynamics of Molecules on Metal Surfaces. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 15257-15270 |