Application Development

Chemistry and Materials Applications

GAMESS: Enabling GAMESS for Exascale Computing in Chemistry and Materials

Principal Investigator: Mark Gordon, Ames Laboratory

This project is centered on understanding and exploiting the reaction mechanism and dynamics of heterogeneous catalysis on mesoporous silica nanoparticles. This mechanism is a highly effective and selective heterogeneous catalyst for a wide variety of important reactions that impact the development of green energy sources that require specific conversion of cellulosic-based chemicals into fuels or other industrially important products.