Summary
Molecular simulation has the potential to play a central role in the design of new materials and processes, and in the modelling of biological processes. There is, however, one important bottleneck that limits the applicability of simulations: even if we allow for another thousand-fold increase in computing power, there is a huge gap between the length scales and time scales that can be studied in simulation and those that are relevant for most industrial and biological processes. Novel computational techniques will have to be developed to bridge this gap: such multi-scale modelling cannot be successfully tackled by any individual group. The aim of the programme is to pool the considerable European expertise in the different subdisciplines in order to make progress in this outstanding problem in computational materials science.
Duration
5 years, from 1999 to 2003.
