Skip to content Skip to navigation

Scientific work

The EoCoE structure is composed of four thematic application pillars, each addressing a specific research community, as follows:

  • Meteorology for Energy, as a means to predict variability of solar and wind energy production;
  • Materials for Energy, dedicated to photovoltaic cells, batteries and super capacitors for energy storage;
  • Water for Energy, as a vector for thermal or kinetic energies, focussing on geothermal and hydropower;
  • Fusion for Energy, for electricity plants as a long-term alternative energy.

These thematic application pillars are linked to a transversal basis providing high-end expertise in Computational Mathematics and HPC.

Thematic areas

The Transversal Basis provides know-how on tackling algorithmic bottlenecks and limitations in software design and development across the four application pillars.
The general objective is to address and overcome central algorithmic core problems in the realm of energy meteorology must define, each one substantially reducing or even removing bottlenecks.
The growing global demand for energy dictates the use of devices for generation and storage of energy with increased efficiency at a lower cost. Improvements will come from the use of new materials designed at the nanoscale.
Optimal configurations of geothermal heat and power plants need to be determined in an urban region characterised by different types of city quarters and a complex geological setting.
Controlled magnetic fusion aims at producing energy from Deuterium-Tritium reactions. For these nuclei to be able to fuse, reactor designs have to allow the nuclei to overcome their mutual repulsion due to the Coulomb force. In practice, this requires temperatures of the order of 10-20 keV (about 150 million of degrees).
Project results such as code libraries and algorithm/methodology repositories must be organised and made accessible to groups inside and outside the project.

The thematic pillars are supplemented by a transversal basis to aid the high-end computing demands of scientific and industrial research. This cross-thematic transversal “Basis” has HPC related expertise in numerical methods and applied mathematics, linear algebra, system tools for HPC, advanced programming methods for Exascale and Tools and services for HPC. This expertise will be motivated by energy research and will produce user-driven modules (software platform, libraries) to be run on HPC infrastructures.

EoCoE has a strong organisational framework allowing it to address coherently the technical challenges of the pillars. It has a matrix structure linking research topics (such as future low-carbon energy production, supply predictability over time, energy vectors and storage) with cross-sectional software-enabling activities. This structure will foster synergies to the benefit of the research areas concerned, creating multidisciplinary teams that will be deployed to improve, optimize or re-design related application codes.

The EoCoE project will be guided by four high-level objectives with a long-term perspective and with clear milestones:

  • Enabling scientific breakthroughs in the Energy domain by re-designing existing simulation application codes for the user communities in the four pillars;
  • To develop cutting-edge mathematical, numerical and computational methods and tools to foster precise simulation and visualisation of future applications using Exascale computing;
  • To adapt Services activities to the needs of laboratories, industries and SMEs. In particular, to offer training activities aimed at reducing the skills gap between academia and industry in the field of HPC applications for energy oriented research;
  • To foster HPC and energy oriented scientific and industrial communities.


All the EoCoE publications are available here (openAIRE).


This deliverable D2.6 presents: 

The purpose of Work Package 2 is to address and overcome central algorithmic core problems in the realm of energy meteorology, with Task 3 envisaged to transform the solar energy prediction to a prediction of optimal power generation of concentrated solar power. The title of Task 2.3 is "Optimal operation of Concentrated Solar Power (CSP) under Weather Uncertainty."

This deliverable D4.3 is the continuation of work done in Task 4.1 (Geothermal energy HPSC issues, described in Deliverable report 4.2). It summarizes the work done in the consecutive Task 4.2, which is the simulation and assessment of geothermal energy supply based on findings of Task 4.1. Simulation results of the posterior ensemble presented in Deliverable 4.2 pose the initial conditions for transient simulations of different Borehole Heat Exchanger (abbreviation BHE) layouts (fourth step in Fig. 1), which are simulated for assessing the possibility of geothermal direct heat supply in the target area, especially by considering retrofit of buildings.

This deliverable D3.3 presents: 

Development of characterization methods and tools to address structural, electronic and optical properties of materials from the atomic-scale models. Characterization procedures to assess the reliability of the numerical models. Application of MDFT code to supercapacitor materials screening. Coupling of codes to increase accurateness of the computed properties. Modeling of materials at different lenght scales. Description of applications via continuous models. Model settings to design large scale simulations to address accurately macroscopic properties.

The aim of this deliverable D6.12 is to present the short thematic movies of the work packages that produce simulation data, and to explain the process of creating them.

This deliverable D3.2 presents: Computational materials modeling plays a crucial role in the design of devices for efficient low cost energy generation and storage. The accuracy of predicted macroscopic quantities depends on that of the atomic scale models describing the interatomic forces and how they are implemented on larger length and time scales. Despite its large demand on computer resources, materials modeling has a considerable impact in research and industry areas. Applications, for example inorganic and organic photovoltaics (PV), supercapacitors and batteries, can benefit from atomic scale design of materials to understand and improve charge transfer at molecular level.

This deliverable D1.18 replaces D1.17 Application Performance Evaluation that has been delivered in M18.

The deliverable D6.4 presents: task 6.1.6 of the EoCoE project consists in organisating a series of 9 thematic workshops to present research products to the other project partners. Project partners are expected to propose workshop themes based on outputs from the dierent work packages. These workshops can also be open to the wider end-user community. In Year 2, five workshops were organized, which are here described.

The deliverable D5.1 presents: Small scale turbulence as well as large scale MHD instabilities in Tokamak plasmas are believed to be quasi bi-dimensional: the fluctuations scales in the parallel direction to the magnetic field are typically 3 to 4 orders of magnitude larger than those in the transverse plane. This property is used in many tokamak plasma simulation codes to have a different spatial resolution in the parallel and perpendicular direction.

 This deliverable D2.2 is motivated by the need to avoid exceptionally high costs of large errors in energy forecasts by developing warning capabilities for cases of low probability. This implies the processing of ensembles, the sizes of which are drastically increased. Therefore, a novel approach of an ultra large ensemble control system is developed. The computational performance of the underlying atmospheric model is monitored on JUQUEEN and a speedup of 100 % is achieved via compiler optimization. Code development is conducted to make existing model error schemes applicable and complemented by two multi-parameter approaches.

Deliverable D4.2 covers the progress of work done in Task 4.1 of workpackage 4. This task aims at generating a detailed 3D geological model of the subsurface of the city of Geilenkirchen. Geologically speaking, this area belongs to the lower Rhine Embayment and comprises tertiary sediments unconformably overlying carboniferous sediments. Neu-Teveren, a settlement adjacent to the NATO-Airbase of Teveren, is planned to be fully restructured within the next years. In the course of reconstruction, space heating and cooling by geothermal direct heat supply is one option, which will be presented to potential stakeholders.

This deliverable D6.3 presents: the task 6.1.6 of the EoCoE project that consists in organisating a series of 9 thematic workshops to present research products to the other project partners. These will typically take place during regular six-monthly EoCoE project meetings. Project partners are expected to propose workshop themes based on outputs from the dierent work packages. These workshops can also be open to the wider end-user community. In Year 1, two workshops were organized, which are described below.

The aim of this deliverable D6.2 is to present the current state of EoCoE training materials delivered by task WP6.2.The main part of the report describe the first training modules presented during EoCoE workshop. 

This deliverable D6.1 gives the address, main structure of the Energy oriented Centre of Excellence in computing applications web site and editorial infrastructure

In this respect, deliverable D3.1 concerns both the activities described in task T3.1 (Section 2) and those, described in task T3.2, already started but not yet concluded, concerning the atomic scale description of the materials.

This deliverable D1.17 replaces D1.16 Application Performance Evaluation that has been delivered on M12. For the reader who read already the previous document, the major contribution material within this document with respect to the previous one can be found in the following sections:

This deliverable D1.16 replaces D1.15 Application Performance Evaluation that has been delivered on M6. For the reader who read already the previous document, the major contribution material within this document with respect to the previous one can be found in the following sections: Section 3 reports on a second performance evaluation workshop that took place in Maison de la Simulation in May 2016. Section 5 provides now the updated table for all 13 codes evaluated to date. Section 4 has been revised. The list of metrics and their denition have been adjusted and consolidated with Brian Wylie, scalasca developer and member of PoP CoE, in order to improve their reliability and their meaning.

This deliverable 1.15 report describes the status of performance evaluation activity over the rst 6 months of the project, beginning with a dedicated workshop for this purpose, and various follow-up actions such as Section 3, which presents the denition of the EoCoE performance evaluation report and the performance metrics it uses; Subsection 3.4, on the establishment of an automated and reproduceable process that delivers all the required metrics; Section 4, which describes the system for monitoring progress in application optimisation.

The present deliverable D1.1 reports on the triggered application support, i.e. applications the consortium decided to give support to when writing the proposal. The objective at that time was to select a subset of the applications present in WP2-5, but at least one from each pillar, such that the dierent groups of expertise in the transversal basis WP1 get activated from the very beginning of the EoCoE project. This section gives a very brief overview of each six application support activities as well as their contribution to the general project impacts. The following sections present more details for each support activity.


During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles calculations of systems containing up to a few hundred atoms have become a standard in many branches of science. The sizes of the systems which can be simulated have increased even further during recent years, and quantum-mechanical calculations of systems up to many thousands of atoms are nowadays possible. This opens up new appealing possibilities, in particular for interdisciplinary work, bridging together communities of different needs and sensibilities.

During the EoCoE Poznan meeting (Poland) at the PSNC center on July 4th to 6th 2016, some interviews have been made to better understand the expectations of some participants to take part of the Energy oriented Centre of Excellence.

Watch at the interviews here.

Semester reports are produced in a multimedia format to benefit from the full oral explanations of the work package leaders.

Click here to watch the reports that have been produced during the EoCoE meeting in Poznan (Poland) on July 5th 2016.

The first EoCoE-POP workshop on benchmarking and performance analysis brought together code developers of EoCoE application work packages with HPC experts associated with the transversal basis work package and HPC experts from the CoE “POP”. The goal was to familiarise the developers with state-of-the-art HPC performance analysis tools, enabling the teams to make a preliminary identification of bottlenecks, and to initiate the standardisation of benchmark procedures for these codes within the EoCoE project.

EoCoE is a European Horizon 2020 funded project of Centre of Excellence in computing applications. It is designed to enhance numerical simulation efficiency in the international context of the High Performance Computing (HPC) challenges. It focusses its application scope towards low carbon energy domains.

created at