The International Conference for High Performance Computing, Networking, Storage, and Analysis
The International Conference for High Performance Computing, Networking, Storage, and Analysis
Workshop: Fourth International Workshop on Quantum Computing Software
Authors: Meng Wang (University of British Columbia, Pacific Northwest National Laboratory (PNNL)); Fei Hua (Rutgers University, Pacific Northwest National Laboratory (PNNL)); Chenxu Liu, Nicholas Bauman, and Karol Kowalski (Pacific Northwest National Laboratory (PNNL)); Daniel Claudino and Travis Humble (Oak Ridge National Laboratory); Prashant Nair (University of British Columbia); and Ang Li (Pacific Northwest National Laboratory (PNNL))
Abstract: Large-scale simulations of quantum circuits pose significant challenges, especially in the context of 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 demonstrate its capability to simulate large quantum chemistry problems on NERSC's Perlmutter supercomputer. Integrating NWQ-Sim with XACC, we have executed QPE and VQE algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources to advance quantum chemistry and other applications of near-term quantum devices.
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