What is the state of the art in the computational design of materials for industrial applications? How is it changing and what are the perspectives with the new supercomputing architectures? How to approach this field from industry, and how to get advice and support in Europe?

Through examples of industrial relevance developed within the MaX Centre, this Webinar illustrates recent advances in computational materials research based on quantum physics and electronic structure methods, that are enabled by frontier evolution of high-performance computing(HPC). Large-scale materials screening and the prediction of a wide class of properties of industrial interest are now possible: from structural to mechanical and tribological properties, from electron and heat transport to dielectric and optical properties, to a variety of characterization spectroscopies.

MaX – ‘Materials design at the eXascale’ is a European Centre of Excellence for HPC working on electronic structure codes so that they best exploit pre-exascale and exascale architecture to respond to current and future user needs. Software and hardware co-design is at the technological core of the MaX action, with the final goal of providing users with high performance and scalable application base. Within MaX, the traditional paradigm of HPC is empowered by a software ecosystem enabling the convergence of HPC, high throughput computing (HTC), and high-performance data analytics (HPDA). Crucial to MaX is also enabling easy access to codes and the transfer of know-how to user communities.

The Webinar also presents the activities and services that MaX offers to the wider industrial community.