The TeraGyroid experiment at SC 03 addressed a large-scale problem of genuine scientific interest at the same time as showing how intercontinental grids enable new paradigms for collaborative computational science that can dramatically reduce the time to insight. TeraGyroid used computational steering to accelerate the exploration of parameter space in condensed matter simulations. The scientific objective was to study the self-assembly, defect pathways and dynamics of liquid crystalline cubic gyroid mesophases using the largest set of lattice-Boltzmann (LB) simulations ever performed, involving in some cases lattices of over one billion sites and for highly extended simulation times. We describe the application in sufficient detail to reveal how it uses the grid to support interactions between its distributed parts, where the interfaces exist between the application and the middleware infrastructure, what grid services and capabilities are used, and why important design decisions were made. We also describe how the resources of highend computing services were federated with the UK e-Science Grid and the US TeraGrid to form the TeraGyroid testbed, and summarise the lessons learned during the experiment
