With the accelerating materials development cycles, the development of simulation approaches for predictive, de-novo characterization and optimization of materials and device properties emerges as a grand challenge to European R&D. A unified multi-disciplinary approach towards the deployment of models, tools, algorithms and simulation and visualization techniques is required to transform isolated solutions for specific problems into comprehensive, industry-ready platforms, which are capable of predicting the properties of complex materials on the basis of their constitutive elements. While many techniques exist to address the specific questions, a lack of integration of the existing methods into readily available multi-scale modelling platforms has to date limited the impact of materials-modelling techniques in materials design.

• Develop e-infrastructure for multi-scale materials modelling
• Integrate software modules into customizable, high performance protocols and workflows
• Unite expert groups with computational resource providers
• Address emerging computing needs with very efficient, evolving research tools
• Provide European research community a leading edge software infrastructure
• Strengthen Europe's international role as a software provider
• Demonstrate a direct impact towards solving visible European R&D challenges