Modern simulation and machine-learning techniques have become essential methodological tools, but their effective use is inherently computationally demanding. Running such workloads at scale typically requires access to large high-performance computing (HPC) resources. Beyond securing compute time, researchers often face additional challenges in efficiently scaling their codes and workflows, improving performance, and adapting existing software to modern CPU and GPU architectures—tasks that require expertise beyond domain-specific scientific knowledge. To address these challenges, the NHR Atomistic Simulation Center (ASC) provides coordinated access to HPC resources together with dedicated expert support. ASC is part of Germany’s National High Performance Computing (NHR) alliance and brings together the expertise and infrastructure of Zuse Institute Berlin (NHR@ZIB), Friedrich-Alexander-Universität Erlangen-Nürnberg (NHR@FAU), and the Paderborn Center for Parallel Computing (PC²). NHR|ASC provides tailored HPC services—ranging from compute time access on state-of-the-art CPU and GPU clusters to software optimization and project consultation—available free of charge to scientists at German universities. Depending on the scientific scope and computational demands, researchers can engage through different project pathways, from small exploratory test projects to large-scale production applications. Support goes beyond computing access: it includes assistance with installing, configuring, and testing workflows; improving scalability and efficiency; exploring novel computing architectures; developing new computational methods; and more, depending on the specific needs of each project. This contribution introduces the mission and scope of NHR|ASC, outlines the available project types, and highlights how researchers at German universities—from first-time HPC users to experienced groups—can benefit from the services provided through the NHR alliance. More information is available at: https://www.nhr-verein.de/asc
Dr. Sadaf Ehtesabi