Dr. Tristan Bereau
Tristan received his B.Sc. degree in Physics at the École Polytechnique Fédérale de Lausanne (EPFL) in Lausanne, Switzerland in 2006. In 2011, he completed a Ph.D. in physics at Carnegie Mellon University, Pittsburgh, PA, USA. In 2012, Tristan moved to the University of Basel as a postdoctoral researcher. He joined the Max Planck Institute for Polymer Research in 2014 as a group leader. Since 2016 he is an Emmy Noether group leader. His work focuses on the interface between multiscale modeling, biomolecular systems, and machine learning.
Computational high-throughput molecular dynamics
We devise a protocol to screen the thermodynamic properties of small molecules in a complex environment using classical molecular dynamics. We exploit the ability of transferable coarse-grained models to reduce the size of chemical space. An emphasis on generating in silico databases helps us establish structure-property relationships.
We explore the further development of methods and techniques to improve the description and modeling of kinetic properties in multiscale simulation models. Topics of interest include kinetic consistency in coarse-grained models, Markov state models in complex soft-matter systems, and non-equilibrium reweighting.