Computational modelling

Description

Computational modelling has developed, and will continue to develop, into an extremely important research method.  This is due to the rapid improvement in computer power and computer programs that allows for the modelling of complex scientific and engineering systems, as well as the ability of computational techniques to study systems that are too small or hazardous for controlled experimental investigations.

The computational modelling group develops and implements computer programs to study scientific and engineering problems.  These range from molecular scale studies of environmental chemistry to large (macroscopic) scale investigations of engineering materials such as polymer nanocomposites.  This work complements experimental research in gaining a deeper understanding of the chemistry and physics that govern material properties and chemical processes.  This molecular-to-macroscopic understanding is needed for knowledge-based (deterministic) improvement of existing materials and processes, as well as the development of novel materials with unique and desired properties.

Research projects

Carbonaceous Polymeric Nanocomposites
Computational modeling of cellulose decomposition Together with other actors in the Sjuhärad region the School of Engineering at the University of Borås is working towards finding new and improved techniques to convert waste to ethanol and biogas.
Tailor-made materials with desired barrier properties from computational modelling The goal of the project, which is conducted in collaboration with Tetra Pak Packaging Solutions,is to test, develop and implement computational methods to identify polymeric materials with desired barrier properties. This is important since the barrierproperties affect the functionality of various products, e.g., the containers used to store food stuffs and beverages.
Tillämpning av vetenskapliga beräkningsverktyg inom design och utveckling

Finished research projects

Computer based modeling for improved protein-based superabsorbents from waste
Phase equilibria

Researchers