Quantum Algorithms and Applications

Algorithms and Applications

The quantum algorithms and application initiatives is applying quantum computing techniques to energy science problems, including studies of computational chemistry, material design, climate science, and energy grid security. ORNL is developing algorithmic reductions of key energy science problems to take advantage of the performance improvements offered by quantum algorithms. This includes refactoring algorithms to take advantage of quantum primitives and data structures as well as decomposing problems into hybrid applications that combine both conventional and quantum processing. Our efforts have previously focused on electronic structure calculations of multi-linear spin models, atmospheric river forecasting based on anomaly detection, and content-addressable memory based on fixed-point solvers. The fundamental challenge in tackling such a diverse problem set is the development of a toolset to support a broad spectrum of application domains. Our scientific end users require robust and reliable software in order to adopt emerging quantum hardware.