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Achieving Precision in Quantum Material Simulations

Posted in chemistry, computing, particle physics, quantum physics

In fall of 2019, we demonstrated that the Sycamore quantum processor could outperform the most powerful classical computers when applied to a tailor-made problem. The next challenge is to extend this result to solve practical problems in materials science, chemistry and physics. But going beyond the capabilities of classical computers for these problems is challenging and will require new insights to achieve state-of-the-art accuracy. Generally, the difficulty in performing quantum simulations of such physical problems is rooted in the wave nature of quantum particles, where deviations in the initial setup, interference from the environment, or small errors in the calculations can lead to large deviations in the computational result.

In two upcoming publications, we outline a blueprint for achieving record levels of precision for the task of simulating quantum materials. In the first work, we consider one-dimensional systems, like thin wires, and demonstrate how to accurately compute electronic properties, such as current and conductance. In the second work, we show how to map the Fermi-Hubbard model, which describes interacting electrons, to a quantum processor in order to simulate important physical properties. These works take a significant step towards realizing our long-term goal of simulating more complex systems with practical applications, like batteries and pharmaceuticals.

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