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Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

Quantum error correction becomes a practical possibility only if the physical error rate is below a threshold value that depends on a particular quantum code, syndrome measurement circuit, and decoding algorithm. Here we present an end-to-end quantum error correction protocol that implements fault-tolerant memory based on a family of LDPC codes with a high encoding rate that achieves an error threshold of $0.8\%$ for the standard circuit-based noise model. This is on par with the surface code which has remained an uncontested leader in terms of its high error threshold for nearly 20 years. The full syndrome measurement cycle for a length-$n$ code in our family requires $n$ ancillary qubits and a depth-7 circuit composed of nearest-neighbor CNOT gates. The required qubit connectivity is a degree-6 graph that consists of two edge-disjoint planar subgraphs. As a concrete example, we show that 12 logical qubits can be preserved for nearly one million syndrome cycles using 288 physical qubits in total, assuming the physical error rate of $0.1\%$. We argue that achieving the same level of error suppression on 12 logical qubits with the surface code would require nearly 3000 physical qubits. Our findings bring demonstrations of a low-overhead fault-tolerant quantum memory within the reach of near-term quantum processors., Comment: numerical results are revised after fixing a bug in the simulation software

We introduce a fully constructive characterisation of holographic quantum error-correcting codes. That is, given a code and an erasure error we give a recipe to explicitly compute the terms in the RT formula. Using this formalism, we employ quantum circuits to construct a number of examples of holographic codes. Our codes have nontrivial holographic properties and are simpler than existing approaches built on tensor networks. Finally, leveraging a connection between correctable and private systems we prove the uniqueness of the algebra satisfying complementary recovery. The material is presented with the goal of accessibility to researchers in quantum information with no prior background in holography., Comment: v2: published version, typos fixed, 66 pages, 4 figures

We introduce a fully constructive characterisation of holographic quantum error-correcting codes. That is, given a code and an erasure error we give a recipe to explicitly compute the terms in the RT formula. Using this formalism, we employ quantum circuits to construct a number of examples of holographic codes. Our codes have nontrivial holographic properties and are simpler than existing approaches built on tensor networks. Finally, leveraging a connection between correctable and private systems we prove the uniqueness of the algebra satisfying complementary recovery. The material is presented with the goal of accessibility to researchers in quantum information with no prior background in holography., Comment: v2: published version, typos fixed, 66 pages, 4 figures

In 1998, Brassard, Hoyer, Mosca, and Tapp (BHMT) gave a quantum algorithm for approximate counting. Given a list of $N$ items, $K$ of them marked, their algorithm estimates $K$ to within relative error $\varepsilon$ by making only $O\left( \frac{1}{\varepsilon}\sqrt{\frac{N}{K}}\right) $ queries. Although this speedup is of "Grover" type, the BHMT algorithm has the curious feature of relying on the Quantum Fourier Transform (QFT), more commonly associated with Shor's algorithm. Is this necessary? This paper presents a simplified algorithm, which we prove achieves the same query complexity using Grover iterations only. We also generalize this to a QFT-free algorithm for amplitude estimation. Related approaches to approximate counting were sketched previously by Grover, Abrams and Williams, Suzuki et al., and Wie (the latter two as we were writing this paper), but in all cases without rigorous analysis., Comment: Update November 2021: changed several constants throughout and gave an updated proof that simplifies the analysis. This also remedies an algebra mistake present in the previous version