Tristan Bereau

11PUBLICATIONS
9CO-AUTHORS
Pharmaceutical delivery technologiesIntegrable systems (classical and quantum)Computational chemistryPowder and particle technologyTheoretical quantum chemistry
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Publications (11)

|Jul 09, 2021
Data-driven equation for drug-membrane permeability across drugs and membranes.

Arghya Dutta, Jilles Vreeken, Luca M Ghiringhelli

|Apr 09, 2021
Reweighting non-equilibrium steady-state dynamics along collective variables.

Marius Bause, Tristan Bereau

|Dec 09, 2020
Coarse-grained conformational surface hopping: Methodology and transferability.

Joseph F Rudzinski, Tristan Bereau

|Jul 10, 2020
Hydration free energies from kernel-based machine learning: Compound-database bias.

Clemens Rauer, Tristan Bereau

|Jan 03, 2020
Direct route to reproducing pair distribution functions with coarse-grained models via transformed atomistic cross correlations.

Svenja J Wörner, Tristan Bereau, Kurt Kremer

|Nov 03, 2019
Resolution limit of data-driven coarse-grained models spanning chemical space.

Kiran H Kanekal, Tristan Bereau

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Frequent Collaborators

4 joint publications

Joseph F Rudzinski

2 joint publications

Arghya Dutta

2 joint publications

Jilles Vreeken

2 joint publications

Luca M Ghiringhelli