Grant: Discovery Grants Program - Individual

This research program will use advanced computer simulation tools and hardware to model the behaviour and performance of nanoscale materials and devices used in renewable energy applications. High performance computing will enable study of the chemical and physical properties of next-generation energy solutions including artificial photosynthesis and wind-powered electrolysis. Addressing outstanding questions related to device performance and design is of critical importance and will help ensure a sustainable energy future. The physical insight and design rules developed through this research will provide experimental scientists and engineers with a detailed description of the novel chemical and physical phenomena which dominate the nanoscale. By interpreting experimental data and making reliable predictions for new designs, this research will greatly reduce the time required to develop scalable and deployable clean energy systems. This work will greatly enhance the predictive power of computational modeling techniques and will help to realize the long-term vision of a fully computational approach to device design and optimization.