Copyright Dr. Tristan Bereau

Multiscale simulations of soft matter augmented by data-driven methods

Multiscale simulations, all the way from quantum chemistry to continuum mechanics, probe a variety of length and time scales relevant to soft-matter systems.  In this talk, I will describe different strategies to help improve physics-based simulations with recently-developed data-driven methods and concepts.  Applications discussed will include machine learning to vastly improve force-field transferability and high-throughput screening of drug membrane thermodynamics.

Dr. Tristan Bereau

Max-Planck-Insitute for  Polymer Research

Ackermannweg 10

D-55128 Mainz

Postal Address: P.O. Box 3148, D-55021 Mainz

Phone +49 6131 379-478
Email
Http Dr. T. Bereau
Biomolecular Simulations at MPIP
Max-Planck-Insitute for Polymer Research
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