HP-SEE will support and strengthen a number of strategic Virtual Research Communities, which will bring together users across the region within a common cooperative research space, enabling them to share HPC facilities, software, tools, data and results of their work. Thus, the project will directly contribute to the co-ordination of high-quality research and ease the access to and enhance the usability of the available infrastructure. The core international scientific fields identified as self-standing Virtual Research Communities are Computational Physics, Computational Chemistry and Life Science Virtual Community.
Computational Physics community: Computational physics is nowadays the main beneficiary of the scientific HPC, large-scale numerical computations being necessary whenever the complexity of the physical systems investigated does not allow the derivation of an analytical solution.
The main objective of the Computational Physics VRC is to join together the various physics research teams from the SEE area and to provide them access to a powerful HPC infrastructure and tools which will make possible their participation in multidisciplinary and international collaborations.
For this purpose, software developers from 6 countries will contribute with 8 applications in the fields of High Energy and Particle Physics, Plasma Physics, Physics of Condensed Matter, Atomic Physics, and Computational Fluid Dynamics.
The application range extends from nanoelectronics, micro-devices optimization and the modeling of robotic devices for biomedicine, to improved means for feature detection in satellite images, which leads to better mapping, localization and search services.
Computational Chemistry virtual research community: Computational chemistry and material science is one of the highlighted research areas in computational science and a typical heavy user of HPC resources. The computational technologies are an indispensable tool for investigations in domains like quantum molecular dynamics, molecular modelling, nano-technology and design of new materials. Considering the size of the problems to be studied, the required calculations are extremely computationally intensive. Thus HPC would greatly facilitate the proposed work allowing the researchers to deal not only with “pilot” or model systems but to work on big and complicated real systems, which are physically and technologically more significant and challenging. These studies will extend understanding of some fundamental science issues and are of practical importance for pharmaceutical industry, nanotechnology, biomedicine, and many others.
Initially Computational Chemistry VRC supports 7 applications with main developers in 6 SEE countries, collaborating with scientists from more than 20 advanced research centers in Europe.
Life Sciences community: Life Sciences depend heavily on the use of HPC for both data mining and data integration as well as for the simulation of biological systems. HPC technologies are essential for research areas such genome analysis, expression profiling, -omics analysis and biological simulations, whereby a vast amount of experimental data needs to be analyzed and synthesized into reasonable hypothesis. Thus HPC would greatly facilitate the various applications described in this project, enabling the respective research teams to study questions that have thus far been intractable due to their high computational complexity. The use of HPC in the Life Sciences applications with help further our understanding of basic problems in the fields of DNA sequence analysis, comparative genomics, and brain modeling among others and can be of great importance for the health sector.
The Life Sciences VRC supports 7 applications with main developers in 5 SEE countries (Greece, Hungary, Montenegro, Armenia, Georgia) working in the areas of computational biology, computational biophysics, DNA sequence analysis and computational genomics. The various projects involve collaborations with numerous scientists both in Europe and the U.S. and will foster the development of new collaborations among the participant SEE countries.