Our research focuses on the development and application of multiscale molecular simulations methods for soft-condensed-matter materials. Current activities revolve around the development of computational high-throughput screening methods from molecular dynamics, aimed at the generation of large databases of free energies. Interfaces with recent machine-learning architectures help streamline and accelerate the process. Further activities aim at improving dynamical properties of coarse-grained models.

Group webpage: http://bereau.group/

List of publications: Google Scholar profile