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MaX Centre of Excellence for Materials Design at the Exascale has published its Training Booklet, summarising education and training activities carried out between 2023 and 2025. The booklet provides an overview of how MaX has supported academic and industrial researchers in developing skills in high-performance computing and computational materials science over the course of the project.
As HPC systems move toward exascale, advanced simulation tools are becoming essential for predictive materials modelling. MaX addresses this need through a suite of open-source codes (QUANTUM ESPRESSO, YAMBO, SIESTA, BigDFT, and FLEUR) which together form an interoperable ecosystem for large-scale simulations of electronic, magnetic, and optical properties. Each code is maintained and optimised by a community of developers and researchers to ensure scalability and performance on modern supercomputers.
Training has been a key part of MaX mission. MaX training programme supports researchers at all career stages. In addition to workshops and schools, MaX provides webinars, recorded lectures, tutorials, internships, and research placements, giving participants practical experience with HPC workflows.
Between 2023 and 2025, the centre ran 19 events, including 16 workshops and courses and 3 hackathons. Eleven were held in person, enabling direct interaction with developers and HPC experts, while eight were delivered online to reach a wider audience. Hackathons offered participants hands-on experience in solving practical problems using MaX codes. The programme attracted over 2,100 applications, with 1,106 selected participants.
The Training Booklet documents these activities and highlights MaX ongoing effort to develop expertise in computational materials science, foster collaboration, and support the next generation of HPC researchers.
Download MaX Training Booklet: MaX Training Booklet (2023-2025)