Toward a Cohesive AI and Simulation Software Ecosystem for Scientific Innovation

ParaTools, Inc. Sameer Shende, ParaTools, Inc. Lois Curfman McInnes, Argonne National Laboratory Todd Gamblin, Lawrence Livermore National Laboratory James M. Willenbring, Sandia National Laboratories In this document, we outline key considerations for the next-generation software stack that will support scientific applications integrating AI and modeling & simulation (ModSim) to provide a unified AI/ModSim software stack. The scientific computing community needs a cohesive AI/ModSim software stack. This AI/ModSim stack must support binary distributions to enable emerging scientific workflows. A Cohesive Software Stack for AI and Modeling & Simulation To address future scientific challenges, the next-generation scientific software stack must provide a cohesive portfolio of libraries and tools that facilitate AI and ModSim approaches. As scientific research becomes increasingly interdisciplinary, scientists require both of these toolsets to address complex, data-rich problems in problem domains such as climate modeling, material discovery, and energy optimization.