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Integrating quantum computing resources into scientific HPC ecosystems

Journal Article · · Future Generations Computer Systems
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  1. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). National Center for Computational Sciences (NCCS)
  2. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Computational Sciences and Engineering
  3. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Quantum Science Center (QSC)
Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era’s inherent external noise issues. Here, this paper discusses the integration of QC as a computational accelerator within classical scientific high-performance computing (HPC) systems. By leveraging a broad spectrum of simulators and hardware technologies, we propose a hardware-agnostic framework for augmenting classical HPC with QC capabilities. Drawing on the HPC expertise of the Oak Ridge National Laboratory (ORNL) and the HPC lifecycle management of the Department of Energy (DOE), our approach focuses on the strategic incorporation of QC capabilities and acceleration into existing scientific HPC workflows. This includes detailed analyses, benchmarks, and code optimization driven by the needs of the DOE and ORNL missions. Our comprehensive framework integrates hardware, software, workflows, and user interfaces to foster a synergistic environment for quantum and classical computing research. This paper outlines plans to unlock new computational possibilities, driving forward scientific inquiry and innovation in a wide array of research domains.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
2397430
Journal Information:
Future Generations Computer Systems, Journal Name: Future Generations Computer Systems Vol. 161; ISSN 0167-739X
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (72)

The Physical Implementation of Quantum Computation journal September 2000
The LINPACK Benchmark: past, present and future
  • Dongarra, Jack J.; Luszczek, Piotr; Petitet, Antoine
  • Concurrency and Computation: Practice and Experience, Vol. 15, Issue 9 https://doi.org/10.1002/cpe.728
journal January 2003
QuTiP: An open-source Python framework for the dynamics of open quantum systems journal August 2012
A quantum algorithm for heat conduction with symmetrization journal March 2023
Quantum Chemistry in the Age of Quantum Computing journal August 2019
A Perspective on Protein Structure Prediction Using Quantum Computers journal May 2024
Ultranarrow-Band Wavelength-Selective Thermal Emission with Aperiodic Multilayered Metamaterials Designed by Bayesian Optimization journal January 2019
High-Performance Transparent Radiative Cooler Designed by Quantum Computing journal November 2022
Passive radiative cooling below ambient air temperature under direct sunlight journal November 2014
Quantum machine learning journal September 2017
Quantum simulations of materials on near-term quantum computers journal July 2020
Finding flows of a Navier–Stokes fluid through quantum computing journal July 2020
Variational quantum state eigensolver journal September 2022
Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution journal November 2019
Characterizing a non-equilibrium phase transition on a quantum computer journal September 2023
Unbiasing fermionic quantum Monte Carlo with a quantum computer journal March 2022
Evidence for the utility of quantum computing before fault tolerance journal June 2023
Logical quantum processor based on reconfigurable atom arrays journal December 2023
A framework for demonstrating practical quantum advantage: comparing quantum against classical generative models journal February 2024
A series of fast-paced advances in Quantum Error Correction journal February 2024
Quantum machine learning for chemistry and physics journal January 2022
How a quantum computer could accurately solve a hydrogen-air combustion model journal January 2022
Trapped-ion quantum computing: Progress and challenges journal June 2019
A quantum engineer's guide to superconducting qubits journal June 2019
Photonic quantum information processing: A concise review journal December 2019
Quantum computer based on color centers in diamond journal March 2021
Ab initio molecular dynamics on quantum computers journal April 2021
Majorana nanowires for topological quantum computation journal December 2022
Hybrid quantum algorithms for flow problems journal December 2023
The U.S. Nuclear Science Long Range Plan journal January 2024
Photonic quantum information processing: a review journal November 2018
XACC: a system-level software infrastructure for heterogeneous quantum–classical computing journal February 2020
Perspectives on quantum transduction journal March 2020
t|ket⟩: a retargetable compiler for NISQ devices journal November 2020
Focus beyond Quadratic Speedups for Error-Corrected Quantum Advantage journal March 2021
Development of Quantum Interconnects (QuICs) for Next-Generation Information Technologies journal February 2021
Reconfigurable Quantum Local Area Network Over Deployed Fiber journal October 2021
Random circuit block-encoded matrix and a proposal of quantum LINPACK benchmark journal June 2021
Surface codes: Towards practical large-scale quantum computation journal September 2012
Procrustean entanglement concentration in quantum-classical networking journal April 2024
Dynamical mean-field theory for the Hubbard-Holstein model on a quantum device journal April 2023
Quantum Algorithm for Linear Systems of Equations journal October 2009
Active learning of quantum system Hamiltonians yields query advantage journal July 2023
Non-Abelian anyons and topological quantum computation journal September 2008
Quantum computational chemistry journal March 2020
Semiconductor spin qubits journal June 2023
Quantum repeaters: From quantum networks to the quantum internet journal December 2023
LLVM: A compilation framework for lifelong program analysis & transformation conference January 2004
Accelerating HPC With Quantum Computing: It Is a Software Challenge Too journal July 2022
Characterizing Quantum Classifier Utility in Natural Language Processing Workflows conference September 2023
Density Matrix Quantum Circuit Simulation via the BSP Machine on Modern GPU Clusters conference November 2020
Quantum internet: A vision for the road ahead journal October 2018
The Scalable Heterogeneous Computing (SHOC) benchmark suite
  • Danalis, Anthony; Marin, Gabriel; McCurdy, Collin
  • Proceedings of the 3rd Workshop on General-Purpose Computation on Graphics Processing Units - GPGPU '10 https://doi.org/10.1145/1735688.1735702
conference January 2010
An analysis of computational workloads for the ORNL Jaguar system conference January 2012
An evaluation of the CORAL interconnects
  • Zimmer, Christopher; Atchley, Scott; Pankajakshan, Ramesh
  • SC '19: The International Conference for High Performance Computing, Networking, Storage, and Analysis, Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis https://doi.org/10.1145/3295500.3356166
conference November 2019
SV-sim conference November 2021
OpenQASM 3: A Broader and Deeper Quantum Assembly Language journal September 2022
Tensor Network Quantum Virtual Machine for Simulating Quantum Circuits at Exascale journal October 2022
QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation journal February 2023
Experiences readying applications for Exascale
  • Malaya, Nicholas; Messer, Bronson; Glenski, Joseph
  • Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis https://doi.org/10.1145/3581784.3607065
conference November 2023
Frontier: Exploring Exascale
  • Atchley, Scott; Zimmer, Christopher; Lange, John
  • Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis https://doi.org/10.1145/3581784.3607089
conference November 2023
Fast Simulation of High-Depth QAOA Circuits
  • Lykov, Danylo; Shaydulin, Ruslan; Sun, Yue
  • Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis https://doi.org/10.1145/3624062.3624216
conference November 2023
Superconducting Qubits: Current State of Play journal March 2020
Qiskit Dynamics: A Python package for simulating the time dynamics of quantum systems journal October 2023
The ITensor Software Library for Tensor Network Calculations journal August 2022
Quantum Computing in the NISQ era and beyond journal August 2018
Quantum computing with neutral atoms journal September 2020
Grover Adaptive Search for Constrained Polynomial Binary Optimization journal April 2021
Faster quantum and classical SDP approximations for quadratic binary optimization journal January 2022
Variational Quantum Linear Solver journal November 2023
Variational Quantum Algorithms for Computational Fluid Dynamics journal May 2023
ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale journal July 2022

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