This CECAM flagship workshop will focus on recent, important developments, addressing exascale computing and artificial intelligence (AI) methods with a specific focus on urgent topics of materials science.

The workshop hence aims at updating the audience about new and upcoming possibilities. For this, we will have lectures from top HPC centers from Europe, USA, Japan, and China. In particular, we will address how exascale computing can help materials modeling in terms of higher accuracy and precision and more controlled scale bridging. We will also discuss advancements of AI methods and exascale workflows.

These technical aspects will be presented and discussed by leading experts in different domains. By a good mix of researchers from hard and soft materials science, using first principles, classical-atomistic, coarse-grained, and continuum simulations, we will be able to explore similarities and differences in approaches to exascale and data and workflow management.

Psi-k 2020 will be the 6th general conference for the worldwide Psi-k community, following very successful events held in San Sebastián (2015), Berlin (2010), and Schwäbisch Gmünd (2005, 2000, 1996).

The conference program will be structured around 3.5 days (from the afternoon of September 14, 2020 to the end of September 17, 2020), that will include 7 plenary talks, 42 symposia in 6 parallel sessions (~135 invited talks and ~170 contributed talks), and a MAD evening.

All up-to-date information can be found at