arXiv subjects

Nam P. Vu

Publications and source records attributed to Nam P. Vu.

6 recordsLinked to original sources

arXiv2026

Solving Constrained Optimization Problems Using Hybrid Qubit-Qumode Quantum Devices

Variational Quantum Algorithms (VQAs) provide a promising framework for tackling complex optimization problems on near-term quantum hardware. Here, we demonstrate that hybrid qubit--qumode quantum devices offer an efficient route to solving Quadratic Unconstrained Binary Optimization (QUBO) problems using the Echoed Conditional Displacement Variational Quantum Eigensolver (ECD-VQE). Leveraging circuit quantum electrodynamics (cQED) architectures, we encode QUBO instances across multiple qumodes weakly coupled to a single qubit and extract binary solutions directly from photon-number measurements. We apply ECD-VQE to the Binary Knapsack Problem and show that it outperforms the Quantum Approximate Optimization Algorithm (QAOA) implemented on conventional qubit circuits, achieving higher-quality solutions with dramatically fewer resources. We also demonstrate that ECD-VQE can be extended to chemically motivated tasks such as active-space selection for multireference electronic structure methods. These results highlight the utility of hybrid qubit-qumode platforms for a broad class of NP-hard and chemistry-related optimization problems, and demonstrate that variational ECD ansatz can realize expressive state preparation with significantly shallower circuits than qubit-only architectures, positioning qubit-qumode gates as compelling candidates for constrained optimization in early fault-tolerant quantum computing.

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arXiv2025

A Computational Framework for Simulations of Dissipative Non-Adiabatic Dynamics on Hybrid Oscillator-Qubit Quantum Devices

We introduce a computational framework for simulating non-adiabatic vibronic dynamics on circuit quantum electrodynamics (cQED) platforms. Our approach leverages hybrid oscillator-qubit quantum hardware with mid-circuit measurements and resets, enabling the incorporation of environmental effects such as dissipation and dephasing. To demonstrate its capabilities, we simulate energy transfer dynamics in a triad model of photosynthetic chromophores inspired by natural antenna systems. We specifically investigate the role of dissipation during the relaxation dynamics following photoexcitation, where electronic transitions are coupled to the evolution of quantum vibrational modes. Our results indicate that hybrid oscillator-qubit devices, operating with noise levels below the intrinsic dissipation rates of typical molecular antenna systems, can achieve the simulation fidelity required for practical computations on near-term and early fault-tolerant quantum computing platforms.

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arXiv2025

Simulating electronic structure on bosonic quantum computers

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them well-suited for a wide range of quantum simulations. In this work, we focus on the molecular electronic structure problem. We propose an approach to map the electronic Hamiltonian into a qumode bosonic problem that can be solved on bosonic quantum devices using the variational quantum eigensolver (VQE). Our approach is demonstrated through the computation of ground potential energy surfaces for benchmark model systems, including H$_2$ and the linear H$_4$ molecule. The preparation of trial qumode states and the computation of expectation values leverage universal ansatzes based on the echoed conditional displacement (ECD), or the selective number-dependent arbitrary phase (SNAP) operations. These techniques are compatible with circuit quantum electrodynamics (cQED) platforms, where microwave resonators coupled to superconducting transmon qubits can offer an efficient hardware realization. This work establishes a new pathway for simulating many-fermion systems, highlighting the potential of hybrid qubit-qumode quantum devices in advancing quantum computational chemistry.

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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

Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based quantum computers within the context of drug discovery. We discuss the theoretical foundations of quantum machine learning, including data encoding, variational quantum circuits, and hybrid quantum-classical approaches. Applications to drug discovery are highlighted, including molecular property prediction and molecular generation. We provide a balanced perspective, emphasizing both the potential benefits and the challenges that must be addressed.

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arXiv2024

Simulating Chemistry on Bosonic Quantum Devices

Bosonic quantum devices offer a novel approach to realize quantum computations, where the quantum two-level system (qubit) is replaced with the quantum (an)harmonic oscillator (qumode) as the fundamental building block of the quantum simulator. The simulation of chemical structure and dynamics can then be achieved by representing or mapping the system Hamiltonians in terms of bosonic operators. In this perspective, we review recent progress and future potential of using bosonic quantum devices for addressing a wide range of challenging chemical problems, including the calculation of molecular vibronic spectra, the simulation of gas-phase and solution-phase adiabatic and nonadiabatic chemical dynamics, the efficient solution of molecular graph theory problems, and the calculations of electronic structure.

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