Shallow Quantum Circuits for Deep Chemistry via Valence Bond Embeddings

• URL: http://arxiv.org/abs/2606.26882v1
• Date: Thu, 25 Jun 2026 11:11:18 GMT
• Title: Shallow Quantum Circuits for Deep Chemistry via Valence Bond Embeddings
• Abstract summary: In the long run, there will be an increasing demand in reliable approximations for larger systems.<n>We combine hybrid Fermionic-Bosonic encodings with the structured approach of Quantum Valence Bond Theory to directly construct quantum circuits for comparably large molecular systems.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Quantum chemistry is one of the major potential applications in quantum computation. Currently there is a considerable focus on relatively small active spaces as a consequence of hardware noise and exponential bottlenecks in simulations. In the long run, there will be an increasing demand in reliable approximations for larger systems -- both, as initial states for projective algorithms like the quantum phase estimation or for the evaluation of dynamical properties. While numerous approaches to select active spaces and extrapolate basis set accuracy exist, there is currently no consistent approach that results in a single quantum circuit for the total system. In this work, we combine hybrid Fermionic-Bosonic encodings with the structured approach of Quantum Valence Bond Theory to directly construct quantum circuits for comparably large molecular systems. With this approach we are able to push simulability barrier of variational quantum eigensolvers towards chemically relevant systems and demonstrate circuit designs that outperform active space counterparts and achieve good approximations with respect to the exact solutions.

Related papers

• Approximate quantum circuit compilation for proton-transfer kinetics on quantum processors [0.7147139889072891]
  We develop and demonstrate quantum computing algorithms based on the Nuclear-Electronic Orbital framework.<n>We assess the potential of current quantum devices for simulating proton transfer kinetics with high accuracy.
  arXiv  Detail & Related papers  (2025-07-11T19:56:43Z)
• Coupled Cluster Downfolding Theory in Simulations of Chemical Systems on Quantum Hardware [9.389379035303165]
  We show how classical resources are used to construct effective Hamiltonians characterized by dimensions that conform to the constraints of current quantum devices.<n>We argue that such flexible hybrid algorithms, where problem size can be tailored to available quantum resources, can serve as a bridge between noisy intermediate-scale quantum (QNIS) devices and future fault-tolerant quantum computers.
  arXiv  Detail & Related papers  (2025-07-01T21:34:29Z)
• VQC-MLPNet: An Unconventional Hybrid Quantum-Classical Architecture for Scalable and Robust Quantum Machine Learning [50.95799256262098]
  Variational quantum circuits (VQCs) hold promise for quantum machine learning but face challenges in expressivity, trainability, and noise resilience.<n>We propose VQC-MLPNet, a hybrid architecture where a VQC generates the first-layer weights of a classical multilayer perceptron during training, while inference is performed entirely classically.
  arXiv  Detail & Related papers  (2025-06-12T01:38:15Z)
• Variational Quantum Subspace Construction via Symmetry-Preserving Cost Functions [36.94429692322632]
  We propose a variational strategy based on symmetry-preserving cost functions to iteratively construct a reduced subspace for extraction of low-lying energy states.<n>As a proof of concept, we test the proposed algorithms on H4 chain and ring, targeting both the ground-state energy and the charge gap.
  arXiv  Detail & Related papers  (2024-11-25T20:33:47Z)
• Quantum Equilibrium Propagation for efficient training of quantum systems based on Onsager reciprocity [0.0]
  Equilibrium propagation (EP) is a procedure that has been introduced and applied to classical energy-based models which relax to an equilibrium. Here, we show a direct connection between EP and Onsager reciprocity and exploit this to derive a quantum version of EP. This can be used to optimize loss functions that depend on the expectation values of observables of an arbitrary quantum system.
  arXiv  Detail & Related papers  (2024-06-10T17:22:09Z)
• Parallel Quantum Computing Simulations via Quantum Accelerator Platform Virtualization [44.99833362998488]
  We present a model for parallelizing simulation of quantum circuit executions. The model can take advantage of its backend-agnostic features, enabling parallel quantum circuit execution over any target backend.
  arXiv  Detail & Related papers  (2024-06-05T17:16:07Z)
• Simulating electronic structure on bosonic quantum computers [34.84696943963362]
  We propose an approach to map the electronic Hamiltonian into a qumode bosonic problem that can be solved on bosonic quantum devices.<n>This work establishes a new pathway for simulating many-fermion systems, highlighting the potential of hybrid qubit-qumode quantum devices.
  arXiv  Detail & Related papers  (2024-04-16T02:04:11Z)
• On-the-fly Tailoring towards a Rational Ansatz Design for Digital Quantum Simulations [0.0]
  It is imperative to develop low depth quantum circuits that are physically realizable in quantum devices. We develop a disentangled ansatz construction protocol that can dynamically tailor an optimal ansatz. The construction of the ansatz may potentially be performed in parallel quantum architecture through energy sorting and operator commutativity prescreening.
  arXiv  Detail & Related papers  (2023-02-07T11:22:01Z)
• A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive [52.77024349608834]
  We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Assembled Ansatz Variational Eigensolver (ADAPTVQE) This framework is used for efficient quantum simulations of chemical systems on nearterm quantum computers.
  arXiv  Detail & Related papers  (2022-12-21T23:15:17Z)
• Orbital Expansion Variational Quantum Eigensolver: Enabling Efficient Simulation of Molecules with Shallow Quantum Circuit [0.5541644538483947]
  Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. Here, we propose an Orbital Expansion VQE(OE-VQE) framework to construct an efficient convergence path. The path starts from a highly correlated compact active space and rapidly expands and converges to the ground state, enabling ground states with much shallower quantum circuits.
  arXiv  Detail & Related papers  (2022-10-13T10:47:01Z)
• Quantum Phases of Matter on a 256-Atom Programmable Quantum Simulator [41.74498230885008]
  We demonstrate a programmable quantum simulator based on deterministically prepared two-dimensional arrays of neutral atoms. We benchmark the system by creating and characterizing high-fidelity antiferromagnetically ordered states. We then create and study several new quantum phases that arise from the interplay between interactions and coherent laser excitation.
  arXiv  Detail & Related papers  (2020-12-22T19:00:04Z)
• Quantum Non-equilibrium Many-Body Spin-Photon Systems [91.3755431537592]
  dissertation concerns the quantum dynamics of strongly-correlated quantum systems in out-of-equilibrium states. Our main results can be summarized in three parts: Signature of Critical Dynamics, Driven Dicke Model as a Test-bed of Ultra-Strong Coupling, and Beyond the Kibble-Zurek Mechanism.
  arXiv  Detail & Related papers  (2020-07-23T19:05:56Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.