Department of Chemistry

Murray-Rust Research Group

Andrew Walkingshaw

I'm a postdoctoral researcher on the MaterialsGrid project.

My major current project is Golem, an ontology language and toolkit for processing CML - particularly analysing very large sets of chemical simulation data. I'm fascinated by the way Web techniques and technologies (from both "Web 2.0" and Semantic Web) can be used to build better scientific data tools, and by the prospect of ultra-cheap/simple tangible user interfaces changing how we interact with computers in the course of our work.

My doctoral research was in computational physics/mineralogy, particularly related to designing algorithms for prediction of transition states. As a mineralogist by training, I'm particularly interested in the interplay of structural and electronic disorder in processes in materials (glass dynamics, electrochromism, chemical order/disorder, and so forth); that kind of research is very data-intensive, leading to my current work.

I blog at Brighten the Corners.