Speaker
Prof.
Paola Carbone
(The University of Manchester)
Description
In this talk I'll discuss how molecular dynamics and multiscale modelling can be used to accelerate material discovery and optimisation. I'll give an introduction to the techniques and HPC requirements and show two examples where molecular modelling has helped to optimize fillers composition for polymer composites and electrolytes for energy storage applications.
Primary author
Prof.
Paola Carbone
(The University of Manchester)
