Scott Hopkins’ research team is collaborating with AB SCIEX to apply a search methodology for accurately calculating nanocluster properties, which could lead to the development of new materials.
Our research is focused on probing the complex potential energy landscapes of nanoclusters. We use Compute Canada infrastructure to run custom-written codes that search model potential energy surfaces to identify the most stable structures of nanoclusters. We then use the results of our search algorithm as inputs for high-level quantum chemical calculations, which are also undertaken on Compute Canada high-performance computing clusters. The results of our research have the potential to impact Canadians through the development and tailoring of new nanostructured materials. Owing to the complexity of nanocluster potential energy surfaces and the computational demands of high-level quantum chemical calculations, the high-performance computing resources provided by Compute Canada are essential to the success of our research program.