The innovation engine for new materials

Multiscale Modeling of Complex Systems in Chemical Industry

Seminar Group: 


Dr. Pieter J. in ‘t Veld


Principal Scientist,


Friday, January 11, 2019 - 11:00am


MRL Room 2053


Prof. Glenn Fredrickson
BASF is a multi-billion-dollar company active in creating chemical solutions for a wide range of applications, such as home and personal care, printing and packaging, automotive and structural coatings, and structural plastics and foams applications. Within the scope of my presentation, I intend to present typical modeling work within BASF, focusing on the design of Material Systems. These Material Systems vary from dispersions to filled polymeric foams. The modeling work touched includes an in-house development of a workflow environment with an initial structure generator for particle simulations as its centerpiece. The addressed particle simulations range from atomistic to highly coarse-grained simulations, consisting of complex molecular mixtures, including polymers. As an example of our standard work flow, I will show a few applications, which includes the design of laundry detergents.