Ian's key responsibilities are both the organization of training courses for high performance computing (HPC) users on HECToR, and the support, development and optimisation of HPC applications, especially in the chemistry and materials science areas.
Ian has over 2 decades of HPC experience, beginning on Cray 1 machines during his first degree and subsequently focusing on massively parallel machines. He is an author of CRYSTAL, an ab initio material science code, and has made major contributions to DL_POLY and GAMESS-UK. He has also made contributions to a number of other codes, including CASTEP and CONQUEST. His main area of interest is the development and implementation of distributed memory algorithms to address problems in computational chemistry and materials science.
Ian gained a D.Phil entitled “The Electronic Structure of Disordered Materials”, and also holds a 1st class honours degree, both awarded by the University of Oxford.