Unified nanoscale gateway to HPC and grid environments

Nanotechnology and advanced materials research is offered as a transformative technology with the potential to improve every aspect of social, physical, and economic well-being. Presently, the excellent research is running at Slovak Academy of Sciences (SAS) in various subfields and research disciplines in nanotechnology. As many other fields, nanotechnology research also requires computational and infrastructure support, especially for modelling and simulations. From this point of view, the nanotechnology area represents a big challenge where different scales meet. The high performance computing (HPC) and the Grid computing gives a good chance to simulate real physical nano-structural systems even on atomic level under various external conditions. This paper presents the computational support approach in such environments: a scientific user-centric gateway into the high computational capacity for nanoscale simulations.