Materials Modelling:Dr Patrick Briddon, Dr Jon Goss, Dr Jerry Hagon
The materials modelling group is concerned with the development of first principles modelling techniques and their application to a variety of important problems in materials chemistry. These lie at the boundary between the traditional disciplines of chemistry, physics, materials science and electrical engineering.
A major effort of our work has been the development of our modelling package AIMPRO. This program is also used by numerous groups aground the world and provides an outstandingly efficient implementation of density functional theory. The program is primarily written to model periodic systems (for example bulk solids, surfaces) although small molecular systems can also be treated efficiently.
A full list of our publications can be found on our group web site. Here we briefly describe a number of applications of the modelling code
 |