Tristan Bereau

Affiliations: 
Max Planck Institute for Polymer Research Mainz 
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Bause M, Bereau T. (2021) Reweighting non-equilibrium steady-state dynamics along collective variables. The Journal of Chemical Physics. 154: 134105
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
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
Hoffmann C, Centi A, Menichetti R, et al. (2020) Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific Data. 7: 51
Koch AHR, Morsbach S, Bereau T, et al. (2020) Probing Nanoparticle-Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and Plasmonics. The Journal of Physical Chemistry. B
Bause M, Wittenstein T, Kremer K, et al. (2019) Microscopic reweighting for nonequilibrium steady-state dynamics. Physical Review. E. 100: 060103
Wörner SJ, Bereau T, Kremer K, et al. (2019) Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations. The Journal of Chemical Physics. 151: 244110
Kanekal KH, Bereau T. (2019) Resolution limit of data-driven coarse-grained models spanning chemical space. The Journal of Chemical Physics. 151: 164106
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