The Argonne Leadership Computing Facility delivers one-of-a-kind computational resources that enable discoveries and breakthroughs across a diverse range of scientific research spanning academic fields and industrially relevant applications. As a unique resource continuously evolving with each generation supercomputer, specialized training and knowledge are necessary for our user community. I am responsible for helping to lead and coordinate training activities for this user community. This role requires domain expertise, intergroup and interdivisional collaboration, and multidomain experience to provide technical guidance to a diverse audience. I have led, organized, and chaired over twenty technical workshops and forty webinar series, including seven external events in collaboration with both industrial partners and other national laboratories.
I am the primary Argonne collaborator for the EXAALT project, an Exascale Computing Project (ECP) effort using molecular dynamics to simulate materials relevant to nuclear fusion and fission. I am responsible for enabling this project on Argonne’s upcoming exascale machine, Aurora. The LAMMPS code, implemented using Kokkos, is the primary application developed (written in C/C++ that utilizes multiple programming models including support for OpenMP on CPUs, a GPU package with CUDA, HIP, and OpenCL backends, and a Kokkos implementation) and used by the ECP EXAALT project.