arXiv subjects

Irma Avdic

Publications and source records attributed to Irma Avdic.

10 recordsLinked to original sources

arXiv2025

Witnessing Entanglement in Mixed-Particle Quantum Systems

We introduce an entanglement witness that identifies off-diagonal long-range order (ODLRO) -- a distinctive form of entanglement -- in systems containing both fermionic and bosonic particles. By analyzing the particle-hole reduced density matrices of each subsystem, the approach detects ODLRO independently in both fermionic and bosonic sectors and identifies when long-range order develops across the entire mixed-particle system. The witness also quantifies the magnitude of ODLRO within each particle type, revealing how fermionic and bosonic correlations combine to form the total entanglement of the system, including a bosonic condensation of particle-hole pairs driven by many-body correlations rather than particle statistics. Using the Lipkin-Meshkov-Glick spin model, we show how the transition from ODLRO localized to one particle type to ODLRO shared by both particle types captures the onset of collective entanglement in a mixed-particle environment, providing new insight into systems where fermionic and bosonic correlations coexist.

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arXiv2025

Entanglement Witnesses of Condensation for Enhanced Quantum Sensing

Quantum phenomena such as entanglement provide powerful resources for enhancing classical sensing. Here, we theoretically show that collective entanglement of spin qubits, arising from a condensation of particle-hole pairs, can strongly amplify transitions between ground and excited spin states, potentially improving signal contrast in optically detected magnetic resonance. This collective state exhibits an $\mathcal{O}(\sqrt{N})$ enhancement of the transition amplitude with respect to an applied microwave field, where $N$ is the number of entangled spin qubits. We computationally realize this amplification using an ensemble of $N$ triplet spins with magnetic dipole interactions, where the largest transition amplitudes occur at geometries for which the condensation of particle-hole pairs is strongest. This effect, robust to noise, originates from the concentration of entanglement into a single collective mode, reflected in a large eigenvalue of the particle-hole reduced density matrix -- an entanglement witness of condensation analogous to off-diagonal long-range order, though realized here in a finite system. These results offer a design principle for quantum sensors that exploit condensation-inspired entanglement to boost sensitivity in spin-based platforms.

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arXiv2025

Correlated Purification for Restoring $N$-Representability in Quantum Simulation

Classical shadow tomography offers a scalable route to estimating properties of quantum states, but the resulting reduced density matrices (RDMs) often violate constraints that ensure they represent $N$-electron states -- known as $N$-representability conditions -- because of statistical and hardware noise. We present a correlated purification framework based on semidefinite programming to restore accuracy to these noisy, unphysical two-electron RDMs. The method performs a bi-objective optimization that minimizes both the many-electron energy and the nuclear norm of the change in the measured 2-RDM. The nuclear norm, often employed in matrix completion, promotes low-rank, physically meaningful corrections to the 2-RDM, while the energy term acts as a regularization term that can improve the purity of the ground state. While the method is particularly effective for the ground state, it can also be applied to excited and non-stationary states by decreasing the weight of the energy relative to the error norm. In an application to fermionic shadow tomography of large hydrogen chains, correlated purification yields substantial reductions in both energy and 2-RDM error, achieving chemical accuracy across dissociation curves. This framework provides a robust strategy for tomography in many-body quantum simulations.

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arXiv2025

Constrained Shadow Tomography for Molecular Simulation on Quantum Devices

Quantum state tomography is a fundamental task in quantum information science, enabling detailed characterization of correlations, entanglement, and electronic structure in quantum systems. However, its exponential measurement and computational demands limit scalability, motivating efficient alternatives such as classical shadows, which enable accurate prediction of many observables from randomized measurements. In this work, we introduce a bi-objective semidefinite programming approach for constrained shadow tomography, designed to reconstruct the two-particle reduced density matrix (2-RDM) from noisy or incomplete shadow data. By integrating $N$-representability constraints and nuclear-norm regularization into the optimization, the method builds an $N$-representable 2-RDM that balances fidelity to the shadow measurements with energy minimization. This unified framework mitigates noise and sampling errors while enforcing physical consistency in the reconstructed states. Numerical and hardware results demonstrate that the approach significantly improves accuracy, noise resilience, and scalability, providing a robust foundation for physically consistent fermionic state reconstruction in realistic quantum simulations.

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arXiv2025

Refining ensemble $N$-representability of one-body density matrices from partial information

The $N$-representability problem places fundamental constraints on reduced density matrices (RDMs) that originate from physical many-fermion quantum states. Motivated by recent developments in functional theories, we introduce a hierarchy of ensemble one-body $N$-representability problems that incorporate partial knowledge of the one-body reduced density matrices (1RDMs) within an ensemble of $N$-fermion states with fixed weights $w_i$. Specifically, we propose a systematic relaxation that reduces the refined problem -- where full 1RDMs are fixed for certain ensemble elements -- to a more tractable form involving only natural occupation number vectors. Remarkably, we show that this relaxed problem is related to a generalization of Horn's problem, enabling an explicit solution by combining its constraints with those of the weighted ensemble $N$-representability conditions. An additional convex relaxation yields a convex polytope that provides physically meaningful restrictions on lattice site occupations in ensemble density functional theory for excited states.

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arXiv2024

Characterizing conical intersections of nucleobases on quantum computers

Hybrid quantum-classical computing algorithms offer significant potential for accelerating the calculation of the electronic structure of strongly correlated molecules. In this work, we present the first quantum simulation of conical intersections (CIs) in a biomolecule, cytosine, using a superconducting quantum computer. We apply the Contracted Quantum Eigensolver (CQE) -- with comparisons to conventional Variational Quantum Deflation (VQD) -- to compute the near-degenerate ground and excited states associated with the conical intersection, a key feature governing the photostability of DNA and RNA. The CQE is based on an exact ansatz for many-electron molecules in the absence of noise -- a critically important property for resolving strongly correlated states at CIs. Both methods demonstrate promising accuracy when compared with exact diagonalization, even on noisy intermediate-scale quantum computers, highlighting their potential for advancing the understanding of photochemical and photobiological processes. The ability to simulate these intersections is critical for advancing our knowledge of biological processes like DNA repair and mutation, with potential implications for molecular biology and medical research.

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arXiv2024

Enhanced Shadow Tomography of Molecular Excited States from Enforcing $N$-representability Conditions by Semidefinite Programming

Excited-state properties of highly correlated systems are key to understanding photosynthesis, luminescence, and the development of novel optical materials, but accurately capturing their interactions is computationally costly. We present an algorithm that combines classical shadow tomography with physical constraints on the two-electron reduced density matrix (2-RDM) to treat excited states. The method reduces the number of measurements of the many-electron 2-RDM on quantum computers by (i) approximating the quantum state through a random sampling technique called shadow tomography and (ii) ensuring that the 2-RDM represents an $N$-electron system through imposing $N$-representability constraints by semidefinite programming. This generalizes recent work on the $N$-representability-enhanced shadow tomography of ground-state 2-RDMs. We compute excited-state energies and 2-RDMs of the H$_4$ chain and analyze the critical points along the photoexcited reaction pathway from gauche-1,3-butadiene to bicyclobutane via a conical intersection. The results show that the generalized shadow tomography retains critical multireference correlation effects while significantly reducing the number of required measurements, offering a promising avenue for the efficient treatment of electronically excited states on quantum devices.

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arXiv2024

Shadow Ansatz for the Many-Fermion Wave Function in Scalable Molecular Simulations on Quantum Computing Devices

Here we show that shadow tomography can generate an efficient and exact ansatz for the many-fermion wave function on quantum devices. We derive the shadow ansatz -- a product of transformations applied to the mean-field wave function -- by exploiting a critical link between measurement and preparation. Each transformation is obtained by measuring a classical shadow of the residual of the contracted Schr\"odinger equation (CSE), the many-electron Schr\"odinger equation (SE) projected onto the space of two electrons. We show that the classical shadows of the CSE vanish if and only if the wave function satisfies the SE and, hence, that randomly sampling only the two-electron space yields an exact ansatz regardless of the total number of electrons. We demonstrate the ansatz's advantages for scalable simulations -- fewer measurements and shallower circuits -- by computing H$_{3}$ on simulators and a quantum device.

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arXiv2024

Quantum Algorithms and Applications for Open Quantum Systems

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction of static and dynamic molecular properties. In recent years, quantum algorithms have been leveraged for the computation of open quantum systems as the predicted quantum advantage of quantum devices over classical ones may allow previously inaccessible applications. Accomplishing this goal will require input and expertise from different research perspectives, as well as the training of a diverse quantum workforce, making a compilation of current quantum methods for treating open quantum systems both useful and timely. In this Review, we first provide a succinct summary of the fundamental theory of open quantum systems and then delve into a discussion on recent quantum algorithms. We conclude with a discussion of pertinent applications, demonstrating the applicability of this field to realistic chemical, biological, and material systems.

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arXiv2023

Fewer measurements from shadow tomography with $N$-representability conditions

Classical shadow tomography provides a randomized scheme for approximating the quantum state and its properties at reduced computational cost with applications in quantum computing. In this Letter we present an algorithm for realizing fewer measurements in the shadow tomography of many-body systems by imposing $N$-representability constraints. Accelerated tomography of the two-body reduced density matrix (2-RDM) is achieved by combining classical shadows with necessary constraints for the 2-RDM to represent an $N$-body system, known as $N$-representability conditions. We compute the ground-state energies and 2-RDMs of hydrogen chains and the N$_{2}$ dissociation curve. Results demonstrate a significant reduction in the number of measurements with important applications to quantum many-body simulations on near-term quantum devices.

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