The Novel Materials Discovery (NOMAD) Laboratory develops a Materials Encyclopedia and Big-Data Analytics and Advanced Graphics Tools for materials science and engineering. Eight complementary computational materials science groups and four high-performance computing centers form the synergetic core of this Centre of Excellence.

MaX (Materials design at the Exascale) works at the frontiers of the current and future High Performance Computing (HPC) technologies, to enable the best use and evolution of HPC for materials research and innovation. The Center enables the exascale transition in the materials domain, by developing advanced programming models, novel algorithms, domain-specific libraries, in-memory data management, software/hardware co-design and technology-transfer actions.
A European HPC Center of Excellence that supports Software, Training and Consultancy in Simulation and Modeling


BioExcel will establish a dedicated CoE for Biomolecular Research, covering structural and functional studies of the building blocks of living organisms - proteins, DNA, saccharides, membranes, solvents and small molecules like drug compounds - all areas where with large academic and industrial users bases in Europe. Specifically, BioExcel will improve the efficiency and scalability of important software packages for biomolecular research, improve the usability of ICT technologies for biomolecular researchers in academia and industry, promote best practices and train end users in making good use of both software and e-Infrastructure and develop appropriate governance structures and business plans for a sustainable CoE.



CoeGSS will develop an HPC-based framework to generate customized synthetic populations for GSS applications. By enriching GSS applications to be fully supported by state-of-the-art HPC technologies, we will be able to provide decision-makers and civil society with detailed analyses, including real-time assessments, of global risks and opportunities.



CompBioMed is a user-driven Centre of Excellence in Computational Biomedicine, to nurture and promote the uptake and exploitation of high performance computing within the biomedical modelling community. Our user communities come from academia, industry and clinical practice.



The Energy oriented Centre of Excellence in computing applications (EoCoE: read as “Echo”) uses the tremendous potential offered by the ever-growing computing infrastructure to foster and accelerate the European transition to a reliable and low carbon energy supply using HPC (High Performance Computing).



The main goal of ESiWACE is to substantially improve efficiency and productivity of numerical weather and climate simulation on high-performance computing platforms by supporting the end-to-end workflow of global Earth system modelling in HPC environment.




The Performance Optimisation and Productivity Centre of Excellence in Computing Applications provides performance optimisation and productivity services for academic AND industrial code(s) in all domains.