Dominik Marx
Affiliations: | 1999- | Ruhr-Universität Bochum, Bochum, Nordrhein-Westfalen, Germany |
Website:
https://www.theochem.ruhr-uni-bochum.de/de/allcategories-de-de/forschung/marx/forschungmarxGoogle:
"Dominik Marx"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Max Wolfsberg | research assistant | 1984-1990 | UC Irvine | |
| (Isotopeneffekte in Molekuelen) | ||||
| Hans Sillescu | research assistant | 1990-1990 | Universität Mainz | |
| (Molekulardynamik Simulationen von nichtwaessrigen Elektrolyten) | ||||
| Kurt Binder | grad student | 1990-1992 | Universität Mainz (Physics Tree) | |
| (Quanten Monte Carlo Simulationen von molekularen Adsorbaten) | ||||
| Michele Parrinello | post-doc | 1993-1999 | ETH Zürich | |
| (Car–Parrinello ab initio Molekulardynamik Simulationen) | ||||
Children
Sign in to add trainee| Marcel Baer | grad student | ||
| Christoph Schran | grad student | Ruhr-Universität Bochum | |
| Nisanth N. Nair | post-doc | 2005-2008 | Ruhr-Universität Bochum |
| Jörg Behler | post-doc | 2007-2008 | Ruhr-Universität Bochum |
| Padmesh Anjukandi | post-doc | 2009-2013 | Ruhr-Universität Bochum |
| Soumya Ghosh | post-doc | 2018-2020 | Ruhr-Universität Bochum |
| Narendra Kumar | post-doc | 2014-2021 | Ruhr University Bochum |
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Publications
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| Stolte N, Daru J, Forbert H, et al. (2025) Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water. Journal of Chemical Theory and Computation. 21: 886-899 |
| Stolte N, Daru J, Forbert H, et al. (2024) Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for Dynamics. The Journal of Physical Chemistry Letters. 15: 12144-12150 |
| Beckmann R, Schran C, Brieuc F, et al. (2024) Theoretical infrared spectroscopy of protonated methane isotopologues. Physical Chemistry Chemical Physics : Pccp |
| Simkó I, Schran C, Brieuc F, et al. (2023) Quantum nuclear delocalization and its rovibrational fingerprints. Angewandte Chemie (International Ed. in English). e202306744 |
| Davies JA, Schran C, Brieuc F, et al. (2023) Onset of Rotational Decoupling for a Molecular Ion Solvated in Helium: From Tags to Rings and Shells. Physical Review Letters. 130: 083001 |
| Daru J, Forbert H, Behler J, et al. (2022) Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark. Physical Review Letters. 129: 226001 |
| Larsson HR, Schröder M, Beckmann R, et al. (2022) State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak. Chemical Science. 13: 11119-11125 |
| Beckmann R, Brieuc F, Schran C, et al. (2022) Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representations. Journal of Chemical Theory and Computation. 18: 5492-5501 |
| DuránCaballero L, Schran C, Brieuc F, et al. (2022) Neural network interaction potentials for para-hydrogen with flexible molecules. The Journal of Chemical Physics. 157: 074302 |
| Schran C, Brieuc F, Marx D. (2021) Transferability of machine learning potentials: Protonated water neural network potential applied to the protonated water hexamer. The Journal of Chemical Physics. 154: 051101 |