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1. A universal variational quantum eigensolver for non-Hermitian systems

   https://doi.org/10.1038/s41598-023-49662-5  

   Zhao, Huanfeng ; Zhang, Peng ; Wei, Tzu-Chieh ( December 2023 , Scientific Reports)

   Many quantum algorithms are developed to evaluate eigenvalues for Hermitian matrices. However, few practical approach exists for the eigenanalysis of non-Hermintian ones, such as arising from modern power systems. The main difficulty lies in the fact that, as the eigenvector matrix of a general matrix can be non-unitary, solving a general eigenvalue problem is inherently incompatible with existing unitary-gate-based quantum methods. To fill this gap, this paper introduces a Variational Quantum Universal Eigensolver (VQUE), which is deployable on noisy intermediate scale quantum computers. Our new contributions include: (1) The first universal variational quantum algorithm capable of evaluating the eigenvalues of non-Hermitian matrices—Inspired by Schur’s triangularization theory, VQUE unitarizes the eigenvalue problem to a procedure of searching unitary transformation matrices via quantum devices; (2) A Quantum Process Snapshot technique is devised to make VQUE maintain the potential quantum advantage inherited from the original variational quantum eigensolver—With additional$$O(log_{2}{N})$$$O\left(lo{g}_{2}N\right)$quantum gates, this method efficiently identifies whether a unitary operator is triangular with respect to a given basis; (3) Successful deployment and validation of VQUE on a real noisy quantum computer, which demonstrates the algorithm’s feasibility. We also undertake a comprehensive parametric study to validate VQUE’s scalability, generality, and performance in realistic applications.

    

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2. 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)

   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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3. Prime factorization using quantum variational imaginary time evolution

   https://doi.org/10.1038/s41598-021-00339-x  

   Selvarajan, Raja ; Dixit, Vivek ; Cui, Xingshan ; Humble, Travis S. ; Kais, Sabre ( October 2021 , Scientific Reports)

   The road to computing on quantum devices has been accelerated by the promises that come from using Shor’s algorithm to reduce the complexity of prime factorization. However, this promise hast not yet been realized due to noisy qubits and lack of robust error correction schemes. Here we explore a promising, alternative method for prime factorization that uses well-established techniques from variational imaginary time evolution. We create a Hamiltonian whose ground state encodes the solution to the problem and use variational techniques to evolve a state iteratively towards these prime factors. We show that the number of circuits evaluated in each iteration scales as$$O(n^{5}d)$$$O\left(n^{5}d\right)$, wherenis the bit-length of the number to be factorized anddis the depth of the circuit. We use a single layer of entangling gates to factorize 36 numbers represented using 7, 8, and 9-qubit Hamiltonians. We also verify the method’s performance by implementing it on the IBMQ Lima hardware to factorize 55, 65, 77 and 91 which are greater than the largest number (21) to have been factorized on IBMQ hardware.

    

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4. High-harmonic generation in spin and charge current pumping at ferromagnetic or antiferromagnetic resonance in the presence of spin–orbit coupling

   https://doi.org/10.1088/2515-7639/aceaad  

   Varela-Manjarres, Jalil ; Nikolić, Branislav K. ( August 2023 , Journal of Physics: Materials)

   One of the cornerstone effects in spintronics is spin pumping by dynamical magnetization that is steadily precessing (around, for example, thez-axis) with frequencyω₀due to absorption of low-power microwaves of frequencyω₀under the resonance conditions and in the absence of any applied bias voltage. The two-decades-old ‘standard model’ of this effect, based on the scattering theory of adiabatic quantum pumping, predicts that component$I^{S_z}$of spin current vector$(I^{S_x}(t),I^{S_y}(t),I^{S_z})\propto {\omega }_0$is time-independent while$I^{S_x}(t)$and$I^{S_y}(t)$oscillate harmonically in time with a single frequencyω₀whereas pumped charge current is zero$I\equiv 0$in the same adiabatic$\propto {\omega }_0$limit. Here we employ more general approaches than the ‘standard model’, namely the time-dependent nonequilibrium Green’s function (NEGF) and the Floquet NEGF, to predict unforeseen features of spin pumping: namely precessing localized magnetic moments within a ferromagnetic metal (FM) or antiferromagnetic metal (AFM), whose conduction electrons are exposed to spin–orbit coupling (SOC) of either intrinsic or proximity origin, will pump both spin$I^{S_{\alpha }}(t)$and chargeI(t) currents. All four of these functions harmonically oscillate in time at both even and odd integer multiples$N{\omega }_0$of the driving frequencyω₀. The cutoff order of such high harmonics increases with SOC strength, reaching$N_{\mathrm{m}\mathrm{a}\mathrm{x}}\simeq 11$in the one-dimensional FM or AFM models chosen for demonstration. A higher cutoff$N_{\mathrm{m}\mathrm{a}\mathrm{x}}\simeq 25$can be achieved in realistic two-dimensional (2D) FM models defined on a honeycomb lattice, and we provide a prescription of how to realize them using 2D magnets and their heterostructures.

    

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5. Multiple intertwined pairing states and temperature-sensitive gap anisotropy for superconductivity at a nematic quantum-critical point

   https://doi.org/10.1038/s41535-019-0192-x  

   Klein, Avraham ; Wu, Yi-Ming ; Chubukov, Andrey V. ( November 2019 , npj Quantum Materials)

   The proximity of many strongly correlated superconductors to density-wave or nematic order has led to an extensive search for fingerprints of pairing mediated by dynamical quantum-critical (QC) fluctuations of the corresponding order parameter. Here we study anisotropics-wave superconductivity induced by anisotropic QC dynamical nematic fluctuations. We solve the non-linear gap equation for the pairing gap$$\Delta (\theta ,{\omega }_{m})$$$\Delta \left(\theta ,{\omega }_m\right)$and show that its angular dependence strongly varies below$${T}_{{\rm{c}}}$$$T_c$. We show that this variation is a signature of QC pairing and comes about because there are multiples-wave pairing instabilities with closely spaced transition temperatures$${T}_{{\rm{c}},n}$$$T_{c,n}$. Taken alone, each instability would produce a gap$$\Delta (\theta ,{\omega }_{m})$$$\Delta \left(\theta ,{\omega }_m\right)$that changes sign$$8n$$$8n$times along the Fermi surface. We show that the equilibrium gap$$\Delta (\theta ,{\omega }_{m})$$$\Delta (\theta ,{\omega }_m)$is a superposition of multiple components that are nonlinearly induced below the actual$${T}_{{\rm{c}}}={T}_{{\rm{c}},0}$$$T_c=T_{c,0}$, and get resonantly enhanced at$$T={T}_{{\rm{c}},n}\ <\ {T}_{{\rm{c}}}$$$T=T_{c,n}<T_c$. This gives rise to strong temperature variation of the angular dependence of$$\Delta (\theta ,{\omega }_{m})$$$\Delta \left(\theta ,{\omega }_m\right)$. This variation progressively disappears away from a QC point.

    

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