Doctor Ferenc Molnar
BASF AG
Ludwigshafen, Germany

Monday, April 15, 2002
10:00 am (CT)
3269 Beckman Institute

Abstract

Application of molecular modeling methodology in industrial reseach opens up opportunities to study the characteristics of (polymeric) materials. Topics in polymer research of interest to BASF, which can be addressed by modeling methods, are catalysis, nano-structure, and mesoscopic properties. The lecture will focus also on an integrated working environment for "high throughput computing" that facilitates the required simulations. The lecture will describe further a sample study that applied quantum-chemistry to a problem in polymer catalysis.