Our group strives to understand and predict structure-property relations in functional materials, such as polymeric membranes, biomolecules, and alternative ionic liquids. We use a variety of simulation techniques to gain further understanding of these systems by providing unique insight into structural aspects and phenomena. Complementary to experimental investigations, our work is helping to analyze and interpret experimental results, as well as to predict performance of new materials to guide future experimental design efforts.
We invite you to browse our website to learn more about our research
, including recent peer-reviewed publications
and conference presentations
. Our group is actively involved in several academic and industrial collaborations
with theoretical and experimental groups, both nationally and internationally. In addition, our group members are involved in numerous outreach activities. Please check back frequently for updates to our group news and research endeavors.
Biomaterials for transport of substances and catalysis of biochemical reactions
Ionic liquids and deep eutectic solvents for oil recovery and extraction from tar sands
Nanoporous materials for energy efficient gas adsorption and separation applications
Polymatic, an algorithm for predictive virtual synthesis of amorphous polymers
Force Field Database with download links
for force field information
nuSIMM is facilitates the “synthesis in the computer” of materials and characterizes them.