arXiv subjects

Jan Nogue

Publications and source records attributed to Jan Nogue.

4 recordsLinked to original sources

arXiv2025

Do quantum linear solvers offer advantage for networks-based system of linear equations?

In this exploratory numerical study, we assess the suitability of Quantum Linear Solvers(QLSs)toward providing a quantum advantage for Networks-based Linear System Problems (NLSPs). NLSPs naturally arise from graphs, and are of importance as they are connected to real-world applications. The achievable advantage with a QLS for an NLSP depends on the interplay between the scaling of condition number and sparsity of matrices associated with the graph family. We analyze 50 graph families and identify that within the scope of our study, only 21 of them exhibit prospects for an exponential advantage with the Harrow-Hassidim-Lloyd (HHL) algorithm relative to an efficient classical solver. We call graph families that offer advantage with HHL as good graph families. We also compare the performance of the considered 50 graph families with 7 other QLSs. Furthermore, we report that some graph families graduate from offering no advantage with HHL to promising an exponential advantage with improved algorithms such as the Childs-Kothari-Somma algorithm. We also introduce a unified graph superfamily and show the existence of infinite good graph families in it. Since the runtime expressions for linear solvers involve condition number, which in itself is not easy to compute, ascertaining advantage prospects with quantum linear solvers itself is not an easy problem. Thus, we conjecture the conditions under which one may visually examine a graph family and guess the prospects for an advantage. Finally, we very briefly touch upon some practical issues that may arise even if the aforementioned graph theoretic requirements are satisfied, including quantum hardware challenges.

quant-ph↗

arXiv2025

Trapped ion quantum hardware demonstration of energy calculations using a multireference unitary coupled cluster ansatz: application to the BeH2 insertion problem

In this study, we employ the variational quantum eigensolver algorithm with a multireference unitary coupled cluster ansatz to report the ground state energy of the BeH2 molecule in a geometry where strong correlation effects are significant. We consider the two most important determinants in the construction of the reference state for our ansatz. We remove redundancies in order to execute a redundancy-free calculation. In view of the currently available noisy quantum hardware, we carry out parameter optimization on a classical computer and measure the energy with optimized parameters on a quantum computer. Furthermore, in order to carry out our intended 12-qubit computation with error mitigation and post-selection on a noisy intermediate scale quantum era trapped ion hardware (the commercially available IonQ Forte-I), we perform a series of resource reduction techniques to a. decrease the number of two-qubit gates by 99.84% (from 12243 to 20 two-qubit gates) relative to the unoptimized circuit, and b. reduce the number of measurements via the idea of supercliques, while losing 2.69% in the obtained ground state energy relative to that computed classically for the same resource-optimized problem setting.

physics.chem-ph↗

arXiv2024

Quantum annealing eigensolver as a NISQ era tool for probing strong correlation effects in quantum chemistry

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is arguably the most popular noisy intermediate-scale quantum (NISQ) era approach to quantum chemistry. We consider the underexplored quantum annealing eigensolver (QAE) algorithm as a worthy alternative. We use a combination of numerical calculations for a system where strong correlation effects dominate, and conclusions drawn from our preliminary scaling analysis for QAE and VQE to make the case for QAE as a NISQ era contender to VQE for quantum chemistry. For the former, we pick the representative example of computing avoided crossings in the H4 molecule in a rectangular geometry, and demonstrate that we obtain results to within about 1.2% of the full configuration interaction value on the D-Wave Advantage system 4.1 hardware. We carry out analyses on the effect of the number of shots, anneal time, and the choice of Lagrange multiplier on our obtained results. Following our numerical results, we carry out a detailed yet preliminary analysis of the scaling behaviours of both the QAE and the VQE algorithms. We analyze the non-recurring and recurring costs involved in both the algorithms and arrive at their net scaling behaviours.

physics.chem-ph↗

arXiv2024

Relativistic VQE calculations of molecular electric dipole moments on trapped ion quantum hardware

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is among the most actively studied topics in atomic and molecular calculations on quantum computers, yet few studies address properties other than energies or account for relativistic effects. This work presents high-precision 18-qubit relativistic VQE simulations for calculating the permanent electric dipole moments (PDMs) of BeH to RaH molecules on traditional computers, and 6- and 12-qubit PDM computations for SrH on IonQ quantum devices. To achieve high precision on current noisy intermediate scale era quantum hardware, we apply various resource reduction methods, including Reinforcement Learning and causal flow preserving ZX-Calculus routines, along with error mitigation and post-selection techniques. Our approach reduces the two-qubit gate count in our 12-qubit circuit by 99.71%, with only a 2.35% trade-off in precision for PDM when evaluated classically within a suitably chosen active space. On the current generation IonQ Forte-I hardware, the error in PDM is -1.17% relative to classical calculations and only 1.21% compared to the unoptimized circuit.

physics.atom-ph↗