Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation

As computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonia...

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Main Authors: Andrea Delgado, Prasanna Date
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-03-01
Series:Frontiers in Computer Science
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Online Access:https://www.frontiersin.org/articles/10.3389/fcomp.2025.1528985/full
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author Andrea Delgado
Prasanna Date
author_facet Andrea Delgado
Prasanna Date
author_sort Andrea Delgado
collection DOAJ
description As computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonian simulation, a fundamental task in quantum physics and other large-scale scientific domains. This paper investigates strategies for quantum-classical integration to enhance Hamiltonian simulation within hybrid supercomputing environments. By analyzing computational primitives in HPC allocations dedicated to these tasks, we identify key components in Hamiltonian simulation workflows that stand to benefit from quantum acceleration. To this end, we systematically break down the Hamiltonian simulation process into discrete computational phases, highlighting specific primitives that could be effectively offloaded to quantum processors for improved efficiency. Our empirical findings provide insights into system integration, potential offloading techniques, and the challenges of achieving seamless quantum-classical interoperability. We assess the feasibility of quantum-ready primitives within HPC workflows and discuss key barriers such as synchronization, data transfer latency, and algorithmic adaptability. These results contribute to the ongoing development of optimized hybrid solutions, advancing the role of quantum-enhanced computing in scientific research.
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spelling doaj-art-2126dddefcda4a6abfdf6fae173498b32025-08-20T02:05:20ZengFrontiers Media S.A.Frontiers in Computer Science2624-98982025-03-01710.3389/fcomp.2025.15289851528985Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulationAndrea Delgado0Prasanna Date1Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN, United StatesOak Ridge National Laboratory, Computer Science and Mathematics Division, Oak Ridge, TN, United StatesAs computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonian simulation, a fundamental task in quantum physics and other large-scale scientific domains. This paper investigates strategies for quantum-classical integration to enhance Hamiltonian simulation within hybrid supercomputing environments. By analyzing computational primitives in HPC allocations dedicated to these tasks, we identify key components in Hamiltonian simulation workflows that stand to benefit from quantum acceleration. To this end, we systematically break down the Hamiltonian simulation process into discrete computational phases, highlighting specific primitives that could be effectively offloaded to quantum processors for improved efficiency. Our empirical findings provide insights into system integration, potential offloading techniques, and the challenges of achieving seamless quantum-classical interoperability. We assess the feasibility of quantum-ready primitives within HPC workflows and discuss key barriers such as synchronization, data transfer latency, and algorithmic adaptability. These results contribute to the ongoing development of optimized hybrid solutions, advancing the role of quantum-enhanced computing in scientific research.https://www.frontiersin.org/articles/10.3389/fcomp.2025.1528985/fullquantum computation (QC)high performance computingHamiltonian simulationquantum algorithmnoisy intermediate scale quantum
spellingShingle Andrea Delgado
Prasanna Date
Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
Frontiers in Computer Science
quantum computation (QC)
high performance computing
Hamiltonian simulation
quantum algorithm
noisy intermediate scale quantum
title Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
title_full Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
title_fullStr Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
title_full_unstemmed Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
title_short Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation
title_sort defining quantum ready primitives for hybrid hpc qc supercomputing a case study in hamiltonian simulation
topic quantum computation (QC)
high performance computing
Hamiltonian simulation
quantum algorithm
noisy intermediate scale quantum
url https://www.frontiersin.org/articles/10.3389/fcomp.2025.1528985/full
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