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1. Low rank representations for quantum simulation of electronic structure

   https://doi.org/10.1038/s41534-021-00416-z  

   Motta, Mario; Ye, Erika; McClean, Jarrod R.; Li, Zhendong; Minnich, Austin J.; Babbush, Ryan; Chan, Garnet Kin-Lic (May 2021, npj Quantum Information)

   Abstract The quantum simulation of quantum chemistry is a promising application of quantum computers. However, forNmolecular orbitals, the$${\mathcal{O}}({N}^{4})$$ $O\left(N^4\right)$gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes simulation based on such primitives challenging. We substantially reduce the gate complexity of such primitives through a two-step low-rank factorization of the Hamiltonian and cluster operator, accompanied by truncation of small terms. Using truncations that incur errors below chemical accuracy allow one to perform Trotter steps of the arbitrary basis electronic structure Hamiltonian with$${\mathcal{O}}({N}^{3})$$ $O\left(N^3\right)$gate complexity in small simulations, which reduces to$${\mathcal{O}}({N}^{2})$$ $O\left(N^2\right)$gate complexity in the asymptotic regime; and unitary Coupled Cluster Trotter steps with$${\mathcal{O}}({N}^{3})$$ $O\left(N^3\right)$gate complexity as a function of increasing basis size for a given molecule. In the case of the Hamiltonian Trotter step, these circuits have$${\mathcal{O}}({N}^{2})$$ $O\left(N^2\right)$depth on a linearly connected array, an improvement over the$${\mathcal{O}}({N}^{3})$$ $O\left(N^3\right)$scaling assuming no truncation. As a practical example, we show that a chemically accurate Hamiltonian Trotter step for a 50 qubit molecular simulation can be carried out in the molecular orbital basis with as few as 4000 layers of parallel nearest-neighbor two-qubit gates, consisting of fewer than 10⁵non-Clifford rotations. We also apply our algorithm to iron–sulfur clusters relevant for elucidating the mode of action of metalloenzymes. 

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2. Leveraging Hamiltonian simulation techniques to compile operations on bosonic devices

   https://doi.org/10.1088/1751-8121/adb5df  

   Kang, Christopher; Soley, Micheline B; Crane, Eleanor; Girvin, Steven M; Wiebe, Nathan (April 2025, Journal of Physics A: Mathematical and Theoretical)

   Abstract Circuit quantum electrodynamics enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e. qubit-oscillator) operations are realizable only through optimal control theory, which is oftentimes intractable and uninterpretable. We introduce an analytic approach with rigorously proven error bounds for realizing specific classes of operations via two matrix product formulas commonly used in Hamiltonian simulation, the Lie–Trotter–Suzuki and Baker–Campbell–Hausdorff product formulas. We show how this technique can be used to realize a number of operations of interest, including polynomials of annihilation and creation operators, namely $\left(a{)}^p\right(a^{†}{)}^q$for integer $p,q$. We show examples of this paradigm including obtaining universal control within a subspace of the entire Fock space of an oscillator, state preparation of a fixed photon number in the cavity, simulation of the Jaynes–Cummings Hamiltonian, and simulation of the Hong-Ou-Mandel effect. This work demonstrates how techniques from Hamiltonian simulation can be applied to better control hybrid qubit-boson devices. 

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3. Approximate Unitary t-Designs by Short Random Quantum Circuits Using Nearest-Neighbor and Long-Range Gates

   https://doi.org/10.1007/s00220-023-04675-z  

   Harrow, Aram W.; Mehraban, Saeed (May 2023, Communications in Mathematical Physics)

   Abstract We prove that$${{\,\textrm{poly}\,}}(t) \cdot n^{1/D}$$ $\text{poly}\left(t\right)·n^{1/D}$-depth local random quantum circuits with two qudit nearest-neighbor gates on aD-dimensional lattice withnqudits are approximatet-designs in various measures. These include the “monomial” measure, meaning that the monomials of a random circuit from this family have expectation close to the value that would result from the Haar measure. Previously, the best bound was$${{\,\textrm{poly}\,}}(t)\cdot n$$ $\text{poly}\left(t\right)·n$due to Brandão–Harrow–Horodecki (Commun Math Phys 346(2):397–434, 2016) for$$D=1$$ $D=1$. We also improve the “scrambling” and “decoupling” bounds for spatially local random circuits due to Brown and Fawzi (Scrambling speed of random quantum circuits, 2012). One consequence of our result is that assuming the polynomial hierarchy ($${{\,\mathrm{\textsf{PH}}\,}}$$ $\mathrm{PH}$) is infinite and that certain counting problems are$$\#{\textsf{P}}$$ $\#P$-hard “on average”, sampling within total variation distance from these circuits is hard for classical computers. Previously, exact sampling from the outputs of even constant-depth quantum circuits was known to be hard for classical computers under these assumptions. However the standard strategy for extending this hardness result to approximate sampling requires the quantum circuits to have a property called “anti-concentration”, meaning roughly that the output has near-maximal entropy. Unitary 2-designs have the desired anti-concentration property. Our result improves the required depth for this level of anti-concentration from linear depth to a sub-linear value, depending on the geometry of the interactions. This is relevant to a recent experiment by the Google Quantum AI group to perform such a sampling task with 53 qubits on a two-dimensional lattice (Arute in Nature 574(7779):505–510, 2019; Boixo et al. in Nate Phys 14(6):595–600, 2018) (and related experiments by USTC), and confirms their conjecture that$$O(\sqrt{n})$$ $O\left(\sqrt{n}\right)$depth suffices for anti-concentration. The proof is based on a previous construction oft-designs by Brandão et al. (2016), an analysis of how approximate designs behave under composition, and an extension of the quasi-orthogonality of permutation operators developed by Brandão et al. (2016). Different versions of the approximate design condition correspond to different norms, and part of our contribution is to introduce the norm corresponding to anti-concentration and to establish equivalence between these various norms for low-depth circuits. For random circuits with long-range gates, we use different methods to show that anti-concentration happens at circuit size$$O(n\ln ^2 n)$$ $O\left(n{ln}^{2}n\right)$corresponding to depth$$O(\ln ^3 n)$$ $O\left({ln}^{3}n\right)$. We also show a lower bound of$$\Omega (n \ln n)$$ $\Omega (nlnn)$for the size of such circuit in this case. We also prove that anti-concentration is possible in depth$$O(\ln n \ln \ln n)$$ $O(lnnlnlnn)$(size$$O(n \ln n \ln \ln n)$$ $O(nlnnlnlnn)$) using a different model. 

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4. Bounds on eigenfunctions of quantum cat maps

   https://doi.org/10.1088/1402-4896/ad0331  

   Kim, Elena; Koirala, Robert (October 2023, Physica Scripta)

   Abstract We studyℓ^∞norms ofℓ²-normalized eigenfunctions of quantum cat maps. For maps with short quantum periods (constructed by Bonechi and de Biévre in F Bonechi and S De Bièvre (2000,Communications in Mathematical Physics,211, 659–686)) we show that there exists a sequence of eigenfunctionsuwith $\parallel u{\parallel }_{\infty }\gtrsim {\left(\log N\right)}^{-1/2}$. For general eigenfunctions we show the upper bound $\parallel u{\parallel }_{\infty }\lesssim {\left(\log N\right)}^{-1/2}$. Here the semiclassical parameter is $h={\left(2\pi N\right)}^{-1}$. Our upper bound is analogous to the one proved by Bérard in P Bérard (1977,Mathematische Zeitschrift,155, 249-276) for compact Riemannian manifolds without conjugate points. 

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5. Efficient pathway to NaCs ground state molecules

   https://doi.org/10.1088/1367-2630/acd411  

   Warner, Claire; Bigagli, Niccolò; Lam, Aden Z.; Yuan, Weijun; Zhang, Siwei; Stevenson, Ian; Will, Sebastian (June 2023, New Journal of Physics)

   Abstract We present a study of two-photon pathways for the transfer of NaCs molecules to their rovibrational ground state. Starting from NaCs Feshbach molecules, we perform bound-bound excited state spectroscopy in the wavelength range from 900 nm to 940 nm, covering more than 30 vibrational states of the $c^3{\mathrm{\Sigma }}^{+}$, $b^3\mathrm{\Pi }$, and $B^1\mathrm{\Pi }$electronic states. Analyzing the rotational substructure, we identify the highly mixed $c^3{\mathrm{\Sigma }}_1^{+}|v=22⟩\sim b^3{\mathrm{\Pi }}_1|v=54⟩$state as an efficient bridge for stimulated Raman adiabatic passage. We demonstrate transfer into the NaCs ground state with an efficiency of up to 88(4)%. Highly efficient transfer is critical for the realization of many-body quantum phases of strongly dipolar NaCs molecules and high fidelity detection of single molecules, for example, in spin physics experiments in optical lattices and quantum information experiments in optical tweezer arrays. 

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