Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Production Based on Red Titanium Dioxide. Large-scale generation of energy by solar conversion is critical for future sustainability. This project aims to develop high performance materials to efficiently convert solar energy to hydrogen - a clean fuel. Starting from the newly developed material red titanium dioxide, novel strategies for improved photocatalytic materials will be proposed and evaluated by advanced computa ....Computer-Aided Design of High-Performance Photocatalysts for Solar Hydrogen Production Based on Red Titanium Dioxide. Large-scale generation of energy by solar conversion is critical for future sustainability. This project aims to develop high performance materials to efficiently convert solar energy to hydrogen - a clean fuel. Starting from the newly developed material red titanium dioxide, novel strategies for improved photocatalytic materials will be proposed and evaluated by advanced computational approaches. Key issues for solar-to-hydrogen conversion will be clarified. The materials, knowledge and strategies achieved by this project will dramatically enhance current solar technology and in particular will advance the development of low-cost hydrogen production from water. Read moreRead less
Chiral Catalysts by Rational Design. This project aims to integrate theory and experiment to design new catalysts for the synthesis of multi-stereocentre-containing molecules. Such molecules offer clear advantages in the area of drug design, owing to their potent and selective binding to biological targets, but a lack of available methods for their preparation currently limits their widespread use. This project will use theory to guide the discovery of new ways to make these molecules. It is exp ....Chiral Catalysts by Rational Design. This project aims to integrate theory and experiment to design new catalysts for the synthesis of multi-stereocentre-containing molecules. Such molecules offer clear advantages in the area of drug design, owing to their potent and selective binding to biological targets, but a lack of available methods for their preparation currently limits their widespread use. This project will use theory to guide the discovery of new ways to make these molecules. It is expected that detailed understanding of the factors that control stereocentre formation will be obtained from accurate theoretical modelling and will be applied to invent new catalysts that deliver improved performance and control over product structure.Read moreRead less