The Emmy Noether group headed by Dr. Tristan Bereau at the Max Planck Institute for Polymer Research (Mainz, Germany) aims at inferring structure-property relationships of soft-matter materials using computational methods. We are developing high-throughput multiscale computer simulation methods to determine thermodynamic properties (e.g., free energy) for a large number of small molecules in a complex environment. Our first application on drug-membrane interactions has allowed us to identify novel linear relationships between bulk partitioning coefficients and the coveted potential of mean force (http://dx.doi.org/10.1063/1.4987012). We also leverage the ability of coarse-grained models to systematically reduce chemical space as a novel framework for hierarchical screening.
We invite applications for a PhD or postdoc position to extend our high-throughput multiscale simulation framework. Exceptional students holding a Bachelor's degree will be considered on a fast-track program.
Invited applicants may inquire more information to Dr. Tristan Bereau or send a CV and contact information of two professional references to [log in to unmask]
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