Quantum computing represents a significant shift in computational power, leveraging the principles of quantum mechanics to solve problems that classical computers find impossible or impractical. Unlike traditional bits, which represent either 0 or 1, quantum computers use quantum bits (qubits) that can exist in multiple states simultaneously, enabling them to process vast amounts of information at unprecedented speeds. This makes quantum computing especially promising for tasks like simulating molecular behavior, solving complex optimization problems, and breaking encryption.
High-Performance Computing (HPC) has been a powerhouse for scientific research, industrial simulations, and data-intensive tasks. However, classical HPC systems struggle with certain kinds of problems, particularly those involving exponential scaling or intricate quantum phenomena. For example, quantum chemistry simulations and complex material sciences push HPC systems to their limits, consuming tremendous computational resources and time. Despite their power, classical systems often fall short when trying to model atomic-level interactions or solving combinatorial problems with millions of variables.
The integration of quantum computers with HPC systems holds immense potential for tackling the challenges traditional supercomputers cannot overcome alone. Quantum computers could act as specialized accelerators for certain tasks, enhancing the efficiency of classical systems. In hybrid models, quantum computers could handle quantum-specific problems, such as simulating the interactions between particles in large molecules, while HPC systems manage data processing and control tasks.
This division of labor is particularly promising in fields like quantum chemistry, materials science, and optimization. For example, protein folding—a computationally intensive task for drug discovery—could be vastly improved by this hybrid approach. Similarly, weather prediction, climate modeling, and machine learning algorithms can benefit from quantum systems working alongside classical HPC, providing faster and more accurate simulations.
Research into the integration of quantum computing and HPC has accelerated in recent years. Notably, Oak Ridge National Laboratory (ORNL) is directing efforts to develop a seamless framework for integrating quantum computers with traditional HPC systems. ORNL’s approach focuses on using quantum processors to handle specific computational problems, such as quantum chemistry simulations, where classical systems fall short. Their research aims to develop benchmarks to test quantum devices’ performance within a hybrid system, ensuring practical applications in fields like computational fluid dynamics and optimization [1].
Similarly, European collaborations, such as those involving IQM Quantum Computers and the Leibniz Supercomputing Centre (LRZ), are exploring ways to develop hybrid quantum-HPC systems for scientific and industrial applications. These initiatives aim to create workflows that leverage the strengths of both technologies, helping bridge the gap between research and real-world applications [2,3].
The European High-Performance Computing Joint Undertaking (EuroHPC JU) is playing a pivotal role in advancing the integration of quantum computing and HPC across Europe. As part of its strategic initiative, in 2023, EuroHPC JU signed agreements to host six quantum computers in Czechia, France, Germany, Italy, Poland and Spain. These systems will be integrated into already existing European HPC infrastructure, enabling European users to experiment with hybrid quantum-HPC models that leverage the strengths of both classical and quantum systems. These quantum computers will help accelerate scientific and industrial research by solving complex computational problems that are beyond the reach of traditional HPC systems alone [4].
[1] T. Beck et al, Integrating quantum computing resources into scientific HPC ecosystems, Future Generation Computer Systems, Pages 11-25, 2024.
[2] IQM Quantum Computers and LRZ Collaboration, 2023.
[3] HPCwire, IQM Quantum Computers Partners with HPE to Showcase Hybrid Quantum-HPC Integration at ISC 2024, May 2024.
[4] EuroHPC JU, 2023-2024.