Special issue about exascale computing

In this issue of Current Opinion of Structural Biology, experts in exascale computing from around the world, including scientists from Supercomputing centers in the US (ORNL, LANL, and SDSC) and Europe (FZJ and BSC), have provided insight on the state-of-the new architectures, which allow for massively parallel calculations. Their contributions have been complemented by leaders in biomolecular simulation and machine learning that will lay the foundation for post-Exascale calculations, including many contributions from INM-9 scientists.