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 |
| Dr. T. Bereau | |
| Http | Dr. T. Bereau |
| Biomolecular Simulations at MPIP | |
| Max-Planck-Insitute for Polymer Research |