BASF GMC/M, Materials Modeling
Driving Innovation for Advanced Materials & Systems Formulation Modeling
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 the GM division, which focuses on Material Systems. These Material Systems vary from dispersions to filled polymeric foams. The modeling work touched includes an in-house development of an initial structure generator for particle simulations. This structure generator functions as a central piece of our approach to particle simulations, which ranges from atomistic to highly coarse-grained simulations. As an example of our standard work flow, I will show a few applications, which include the design of a stabilizer molecule for dispersing polymer particles and the simulation of polystyrene dispersions.