Activity: Talk or presentation types › Invited talk › Scientific
Description
A simulation methodology is presented that allows to examine with atomistic detail the chemical degradation in polymer glasses on macroscopically relevant time scales. Departing from simulations that are calibrated versus density-functional theory (DFT) calculations, transition-state theory and rare-event network dynamics are employed to bridge the gap to macroscopic time scales.
Period
15 May 2025
Event title
Computational Modeling of Complex Materials Across the Scales