Contact details:

Background notes:

Martin's research interests have been concerned with application of computer simulation techniques to the study of the fundamental physics and chemistry of minerals.

In the eMinerals project, in addition to overseeing the broad development of the eMinerals programme and the associated technical infrastructure, I have a special interest in the following:

• Simulations of radiation damage in crystalline materials, and the development of the DL_POLY molecular dynamics code to support this work.
• Simulations of organic pollutant molecules on mineral surfaces (examples being PCB and dioxin molecules), and the development of the SIESTA linear scaling electronic structure code to support this work.
• Development of collaborative tools, such as the use of the personal access grid to facilitate regular communications across the project and the development of application sharing tools. This will lead to a true eMinerals virtual organisation.
• Development of a common grid structure to allow interoperability between codes and data sets. This includes being able to manipulate data within a portal infrastructure. A lot of the interopability will be achieved through the development of CML and associated tools.
• Setting up a project minigrid infrastructure that allows management of both computation and data resources.
• Development of a portal interface to act as a virtual desktop.