Molecular Modeling and Simulation for Process and Product Design

The thematic priorities of this Subject Division range from molecular modeling and simulation of catalysts, crystals, polymers, porous media and biomolecules through to process and product design.

• Development of molecular methods for the simulation of microscopic phenomena relevant to process engineering
• Collection of process engineering data using molecular methods
• Product development aided by molecular modeling and simulation
• Use of molecular methods and simulations to elucidate process engineering phenomena and to acquire in-depth insight into industrial processes at a molecular level