Tristan Bereau
Affiliations: | Max Planck Institute for Polymer Research Mainz |
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Parents
Sign in to add mentor| Markus Deserno | grad student | Carnegie Mellon (Physics Tree) | |
| Markus Meuwly | post-doc | University of Basel |
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Publications
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| Scheffler M, Aeschlimann M, Albrecht M, et al. (2022) FAIR data enabling new horizons for materials research. Nature. 604: 635-642 |
| Mondal P, Cazade PA, Das AK, et al. (2021) Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry. B |
| Rudzinski JF, Kloth S, Wörner S, et al. (2021) Dynamical properties across different coarse-grained models for ionic liquids. Journal of Physics. Condensed Matter : An Institute of Physics Journal |
| Rudzinski JF, Bereau T. (2020) Coarse-grained conformational surface hopping: Methodology and transferability. The Journal of Chemical Physics. 153: 214110 |
| Liu C, Brandenburg JG, Valsson O, et al. (2020) Free-energy landscape of polymer-crystal polymorphism. Soft Matter |
| Girard M, Bereau T. (2020) Regulating Lipid Composition Rationalizes Acyl Tail Saturation Homeostasis in Ectotherms. Biophysical Journal |
| Rauer C, Bereau T. (2020) Hydration free energies from kernel-based machine learning: Compound-database bias. The Journal of Chemical Physics. 153: 014101 |
| Scherer C, Scheid R, Andrienko D, et al. (2020) Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids. Journal of Chemical Theory and Computation |
| Centi A, Dutta A, Parekh SH, et al. (2020) Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force. Biophysical Journal |
| Hoffmann C, Centi A, Menichetti R, et al. (2020) Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific Data. 7: 51 |