Theo. Kolloquium: Multiscale simulations of soft matter augmented by data-driven methods
Time
Monday, 29. October 2018
13:30 - 15:00
Location
P 603
Organizer
Prof. Dr. Gerd Ganteför, Universität Konstanz
Speaker:
Dr. Tristan Bereau, MPI Mainz
603Multiscale 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 physicsbased
simulations with recently-developed data-driven methods and
concepts. Applications discussed will include Bayesian inference for molecular
kinetics; machine learning to vastly improve force-field transferability; and highthroughput
screening of drug-membrane thermodynamics.