Quantum and supercomputer platforms work together to solve molecular problems
Quantum-HPC Workflows Across Multiple Quantum Computing Platforms: Two Case Studies
Distributed, Parallel, and Cluster Computing
Summary
Complex molecular problems often need both classical and quantum computers to solve efficiently. This paper describes how a powerful supercomputer called Fugaku can coordinate efforts with two quantum processors to solve these problems. The authors show two examples: first, finding excited states of a small molecule; second, computing ground state energies using a combination of quantum algorithms. Their work demonstrates how different computers can be linked in a workflow to tackle quantum chemistry tasks.
What this means in practice
- •For quantum computing engineers: Coordinate multiple quantum processors and classical supercomputers to run hybrid quantum-classical algorithms for molecular simulations more efficiently.
- •For high-performance computing operators: Manage integrated quantum-classical workflows to improve complex chemistry computations using existing supercomputer infrastructure linked to quantum devices.
Authors
Philipp Seitz, Miwako Tsuji, John Children, Yuta Kikuchi, Riku Masui, Juan Pedersen, Kentaro Yamamoto, Ross Duncan
Abstract
We describe the Quantum-HPC hybrid system comprising the supercomputer Fugaku, the QPUs Quantinuum Reimei and ibm_kobe, and the Tierkreis hybrid workflow software. We present two demonstrations of the system at work. In the first, we compute the excited states of a biomolecular system using Fugaku and Reimei (simulator) to handle classical and quantum parts of the workflow respectively. In the second, Fugaku coordinates Reimei and ibm_kobe working together in a combined VQE + QPE workflow to compute the ground state energy of a simple system.