Integrated Quantum-HPC platform for material science applications

We propose the development of an Integrated Quantum–HPC Platform for Materials Science Applications. The goal is to establish the infrastructure, expertise, benchmark datasets, and hardware-readiness criteria needed to determine where quantum computing can add value to realistic materials simulations. The proposed approach follows the emerging view that quantum computers will operate as specialized accelerators within classical HPC environments, [3] requiring standardized interfaces, resource management, simulator integration, and workflows that allow quantum and classical tasks to operate together efficiently. The platform will be equipped with quantum simulators to mitigate NISQ challenges related to error and decoherence. This will provide a controlled error-free environment for quantum researchers to develop, test and optimize their quantum algorithms. In summary, the project has the following goals: i) Design an integrated Quantum-HPC platform ii) design and implement a workflow to augment HPC systems with QC capabilities, iii) Enable large scale Quantum simulators for future quantum hardware development and iv) benchmark the platform with a specific application. The project will use metal dusting corrosion as a benchmarking application. This project involves experts in Quantum physics, Quantum computing, material science, high-performance computing and computational biology.

Hamad Bin Khalifa University (HBKU)