Enabling Scalable VQE Simulation on Leading HPC Systems
Large-scale simulations of quantum circuits pose significant challenges, especially in quantum chemistry, due to the number of qubits, circuit depth, and the number of circuits needed per problem. High-performance computing (HPC) systems offer massive computational capabilities that could help overcome these obstacles. We developed a high-performance quantum circuit simulator called NWQ-Sim, and demonstrated its capability to simulate large quantum chemistry problems on NERSC’s Perlmutter supercomputer. Integrating NWQ-Sim with XACC, an open-source programming framework for quantum-classical applications, we have executed quantum phase estimation (QPE) and variational quantum eigensolver (VQE) algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources and optimized simulators to advance quantum chemistry and other applications of near-term quantum devices. By scaling to larger qubit counts and circuit depths, high-performance simulators like NWQ-Sim will be critical for characterizing and validating quantum algorithms before their deployment on actual quantum hardware.
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
- DOE Contract Number:
- AC05-00OR22725
- OSTI ID:
- 2224145
- Resource Relation:
- Conference: The International Conference on High Performance Computing, Network, Storage, and Analysis (SC-W) - Denver, Colorado, United States of America - 11/12/2023 10:00:00 AM-11/18/2023 10:00:00 AM
- Country of Publication:
- United States
- Language:
- English
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