Quantum hardware calculations of periodic systems: hydrogen chain and iron crystals


Running quantum algorithms on real hardware is essential for understanding their strengths and limitations, especially in the noisy intermediate scale quantum (NISQ) era. Herein we focus on the practical aspect of quantum computational calculations of solid-state crystalline materials based on theory developed in our group by using real quantum hardware with noise mitigation techniques.

Our Quantum Chemistry team considered two crystal models of different complexities: the hydrogen chain (simple) and the iron lattice (complicated) and in an important result for the advance of quantum computers as a whole, obtained energies in good agreement with theoretical values. An added feature of the experiments was also the validation of the power of our proprietary noise mitigation methods that make simulations accurate. These experiments and the results represent a meaningful advance towards the practical use of quantum computers in areas which are simply intractable using classical computers.

Kentaro Yamamoto, David Zsolt Manrique, Irfan Khan, Hideaki Sawada and David Muñoz Ramo

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