Q-Exa: Applications for quantum computers in the field of simulation of quantum mechanics

The challenge

The realization of relevant applications on quantum computers in the NISQ era is one of the biggest challenges on the way to a quantum computing industry in Germany. However, the characterization by high levels of noise and errors makes it difficult to harness the computational power for practical applications. To address this major challenge, the main objective of the joint project Q-Exa is to provide users with the opportunity to explore the technological peculiarities of a Quantum Computer in the context of HPC integration and acceleration.

The project focused on the simulation of quantum mechanical systems, which is one of the most promising candidates for applications on currently available quantum computers, so-called noisy intermediate-scale quantum (NISQ) devices. HQS was tasked with enabling these quantum simulations on the quantum computer integrated into the HPC environment and creating meaningful use cases to test the algorithms in this environment.

About Q-Exa

The Q-Exa project delivers a state-of-the-art quantum computing demonstrator based on superconducting circuits for integration into an exascale system. The key requirement for Q-Exa is a software framework for solving scientific problems, a quantum computing simulator, and a research purchase consisting of 20 qubit quantum computer. This approach provides a solid comprehension of the system and facilitate algorithm testing.

The demonstrators offer early and full access to quantum-accelerated HPC environments, which hold high potential for both scientific and industrial use cases, to a large group of users. To achieve this, the European leader in superconducting QCs IQM, the primary infrastructure provider and research institute LRZ, technology company Eviden and software developer HQS Quantum Simulations GmbH are collaborating on the project.

Our Solution

We have introduced a novel technology with the HQS Noise App, enabling the inclusion of errors from quantum hardware in computations. This advancement facilitates simulations of open quantum systems on NISQ hardware, providing a quantum advantage.  This software was acquired by the LRZ as a research purchase.  As part of the project, we developed additional software tools for the integration of the HQS Noise App into the project's infrastructure.

As a sub-project, we have conducted extensive research into various scientific enquiries with the aim of developing specific use cases for the quantum accelerated supercomputer. Based on the HQS Noise App and the additionally developed software tools, compositions of new materials and substances can be calculated and simulated.  This capability is the foundation for relevant industrial applications of this ground-breaking hardware. By giving researchers access to this hybrid system  at the LRZ, they are enabled to be trained in quantum simulations, testing algorithms and further optimizing use cases. This initiative not only helps to further define the quantum advantage for industry, but also contributes to the training of new specialists in the field.

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