University of Arkansas researcher gets $400,000 NSF grant to design cellulosic pretreatment

In Arkansas, a University of Arkansas chemistry professor has received a $400,000 award from the National Science Foundation to investigate a roadblock in the harvesting of biomass from perennial plants for the purpose of creating a source of renewable energy. Computational modeling is an important route toward understanding this process. Wang will develop computer models of cellulose fibrils to help scientists understand how they interact with water, alternative solvents and enzymes. His and other models will also lead to the design of catalysts for the pretreatment and hydrolysis of biomass.

The reliability of this kind of computer modeling depends on the accuracy of a mathematical model for intermolecular interactions. Sometimes called an “interaction potential” or “force field” by chemists, these mathematical models can be viewed as similar to engineering diagrams for machines, such as an elevator or an automobile.

Wang will use a method called adaptive force matching, which relies on a process using repeated iterations for developing simple but highly efficient and accurate force fields.