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The increasing heterogeneity of high-performance computing (HPC) systems and the transition to exascale architectures require systematic and reproducible performance evaluation across diverse workloads. While continuous integration (CI)…

Virtualization technologies have evolved along with the development of computational environments since virtualization offered needed features at that time such as isolation, accountability, resource allocation, resource fair sharing and so…

Trusted Execution Environments (TEEs) are hardware-enforced memory isolation units, emerging as a pivotal security solution for security-critical applications. TEEs, like Intel SGX and ARM TrustZone, allow the isolation of confidential code…

AI integration is revolutionizing the landscape of HPC simulations, enhancing the importance, use, and performance of AI-driven HPC workflows. This paper surveys the diverse and rapidly evolving field of AI-driven HPC and provides a common…

A range of computational biology software (GROMACS, AMBER, NAMD, LAMMPS, OpenMM, Psi4 and RELION) was benchmarked on a representative selection of HPC hardware, including AMD EPYC 7742 CPU nodes, NVIDIA V100 and AMD MI250X GPU nodes, and an…

High performance computing clusters operating in shared and batch mode pose challenges for processing sensitive data. In the meantime, the need for secure processing of sensitive data on HPC system is growing. In this work we present a…

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…

A key hurdle is demonstrating compute resource capability with limited benchmarks. We propose workflow templates as a solution, offering adaptable designs for specific scientific applications. Our paper identifies common usage patterns for…

Model Context Protocols (MCPs) provide a unified platform for agent systems to discover, select, and orchestrate tools across heterogeneous execution environments. As MCP-based systems scale to incorporate larger tool catalogs and multiple…

Modern data centers have grown beyond CPU nodes to provide domain-specific accelerators such as GPUs and FPGAs to their customers. From a security standpoint, cloud customers want to protect their data. They are willing to pay additional…

High Performance Computing (HPC) centers provide resources to users who require greater scale to "get science done". They deploy infrastructure with singular hardware architectures, cutting-edge software environments, and stricter security…

In recent years, coded distributed computing (CDC) has attracted significant attention, because it can efficiently facilitate many delay-sensitive computation tasks against unexpected latencies in distributed computing systems. Despite such…

In-Network Computing (INC) has found many applications for performance boosts or cost reduction. However, given heterogeneous devices, diverse applications, and multi-path network typologies, it is cumbersome and error-prone for application…

Device-aware quantum simulation increasingly requires HPC-scale accelerators, yet secure supercomputers expose batch-scheduled execution environments rather than the interactive, backend-oriented interfaces expected by quantum software. The…

With the increasing maturity and scale of quantum hardware and its integration into HPC systems, there is a need to develop robust techniques for developing, characterizing, and benchmarking quantum-HPC applications and middleware systems.…

We present a unified programming model for heterogeneous computing systems. Such systems integrate multiple computing accelerators and memory units to deliver higher performance than CPU-centric systems. Although heterogeneous systems have…

Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…

Computing systems have been evolving to be more pervasive, heterogeneous, and dynamic. An increasing number of emerging domains now rely on diverse edge to cloud continuum where the execution of applications often spans various tiers of…

Large, complex, multi-scale, multi-physics simulation codes, running on high performance com-puting (HPC) platforms, have become essential to advancing science and engineering. These codes simulate multi-scale, multi-physics phenomena with…

High-Performance Computing (HPC) systems are the most powerful tools that we currently have to solve complex scientific simulations. Quantum computing (QC) has the potential to enhance HPC systems by accelerating the execution of specific…