Codes and simulation models dealing with the scientific and application-oriented problems considered in this project already exist. However, they are often not initially developed for scaling to large systems. Many problems, both in the field of energy materials, and in fluid-structure interactions, are, however, inherently multiscale. To cover the necessary large length and time scales, the scalability of the codes is therefore crucial in the long run. Our objectives are therefore to prepare existing community-codes and models relevant to the project for preexascale simulations. This is achieved either by removing barriers to scalability from the codes, or by porting existing models to codes which already provide that scalability.

The objective of this package is to develop software interfaces between different length scales in and between community codes so as to enable computationally efficient (concurrent and sequential) multiscale simulations of processes across scales.

Provide state-of-the art pre-Exascale workflows to perform showcase simulations of problems of utmost scientific&societal impact, such as environmental-friendly rotorcraft design, multiscale design of new families of energy saving materials and ultrasound propagation in liquid water for biomedical applications. Advancing the forefront of these real-world problems commands the resort to the most advanced multiscale and multiphysics computational methods and their efficient implementation on pre-exascale architectures.

o Provide a production-quality central stack of optimized scientific software installations for a broad range of systems and platforms, including personal workstations, cloud environments, and HPC infrastructure (up to and including EuroHPC exascale platforms);
o Offer support to the community for using the central shared software stack and related services;
o Ensure that the central shared software stack and related service are robust, reliable, and perform well, by actively monitoring, testing, and maintaining all components;
o Facilitate and process community contributions to the central software stack in an efficient way.

o Raise awareness of the CoE activities among the extended community
o Develop a complete training infrastructure to support training activities
o Provide training related to all the components of the project such as

o Generation of an approachable set of frequently-used scientific applications centered on / suitable for exascale computing and industrial use cases. Facilitate multiple channels to expose these.
o Incorporate scientific applications into an user-friendly / workflow oriented HPC portal to enable access to HPC resources to new scientists. Target clients:
o Publicly available cloud services and private cloud owners
o Cloud based scientific platforms (e.g., Nextflow Tower https://www.seqera.io/tower/, Benchling https://www.benchling.com) and/or HPC portals such as Open OnDemand
o Provide reliable and long-term support interface to future users.
o Develop a sustainability plan for MultiXscale
o Generate a network of HPC consulting companies (partners) suitable to deliver 3rd level professional support to meet industry/operational requirements.
o General consultancy which will offer support on general topics such as accessibility of tools, general usage and Q&A.
o Specific support in a particular field done by scientific and technological companies.

o Ensure proper and effective management of the project and the achievement of its objectives in accordance with its time-schedule and budget
o Establish and maintain clear procedures for taking decisions effectively and quickly
o Establish quality and risk control procedures with respect to all outputs and deliverables, and provide continuous monitoring of the progress of the work according to the plan and acceptance criteria
o Receive and distribute the Community financial contribution across the Consortium
o Ensure that the project proceeds according to administrative, financial, legal, and ethical principles defined by European and national regulations. These include the financial statements from each beneficiary, access to the grant agreement, records-keeping, financial reporting, as well as interfacing with the Commission and keeping this informed of any matter of its concern
o Guarantee that all contractual, legal, ethical, security, society, and gender equality issues related to the project research are properly considered and any relevant conventions are respected
o Ensure that the participants conform to their obligations under the contract and the consortium agreement; and
o Manage background and foreground intellectual property taking due account of the rights of the participants