Just came back from the Max Planck Institute for Polymer Research in Mainz, Germany. Thanks to Kurt Kremer and Tristan Bereau for inviting me.
I learned that polymers have much more facets than simple plastic (PE) bags and coarse-grained modelling can lead to time scales significantly beyond the reach of even common ML potentials. I used the opportunity to present some of our recent developments in the area of electronic structure theory and how we can help designing molecular materials.
Looking forward to future collaborations!
Visitor at the MPIP
