Ä۲ݵçÓ°

My research has focused on the computer modelling of materials at the atomic level. We investigated how structural defects, chemical environment and external fields influence the properties of various functional materials including ferroelectrics (used in computer memories), carbon nanotubes (used in composite structures), hybrid perovskites (used in optoelectronic devices) and metal organic framework structures (used to capture CO2 emissions). In support of these activities and as a way of introducing undergraduates to computational materials research I have taught advanced level courses on computer modelling techniques and the physical properties of materials.