Abstract Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and data science. While existing methods such as variational quantum algorithms (VQAs) and adiabatic preparation (AP) offer viable pathways, both face substantial limitations. Here we introduce a hybrid algorithm that integrates the conceptual strengths of both VQAs and AP, enhanced via the use of group-theoretic structures and classical post-processing to approximate ground and excited states of many-body Hamiltonian models. We validate our approach by applying it to the one-dimensional XYZ Heisenberg model with periodic boundary conditions, evaluating its performance across a broad range of parameters. For this specific model, our results show accurate preparation of low-energy eigenstates, achieved through circuit depths with polynomial scaling versus system size.
Abstract Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and data science. While existing methods such as variational quantum algorithms (VQAs) and adiabatic preparation (AP) offer viable pathways, both face substantial limitations. Here we introduce a hybrid algorithm that integrates the conceptual strengths of both VQAs and AP, enhanced via the use of group-theoretic structures and classical post-processing to approximate ground and excited states of many-body Hamiltonian models. We validate our approach by applying it to the one-dimensional XYZ Heisenberg model with periodic boundary conditions, evaluating its performance across a broad range of parameters. For this specific model, our results show accurate preparation of low-energy eigenstates, achieved through circuit depths with polynomial scaling versus system size.
We propose applying the adiabatic algorithm to prepare high-energy eigenstates of integrable models on a quantum computer. We first review the standard adiabatic algorithm to prepare ground states in each magnetization sector of the prototypical XXZ Heisenberg chain. Based on the thermodynamic Bethe ansatz, we show that the algorithm circuit depth is polynomial in the number of qubits N , outperforming previous methods explicitly relying on integrability. Next, we propose a protocol to prepare arbitrary eigenstates of integrable models that satisfy certain conditions. For a given target eigenstate, we construct a suitable parent Hamiltonian written in terms of a complete set of local conserved quantities. We propose using such Hamiltonian as an input for an adiabatic algorithm. After benchmarking this construction in the case of the non-interacting XY spin chain, where we can rigorously prove its efficiency, we apply it to prepare arbitrary eigenstates of the Richardson-Gaudin models. In this case, we provide numerical evidence that the circuit depth of our algorithm is polynomial in N for all eigenstates, despite the models being interacting.
Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical approaches, such as the Variational Quantum Eigensolver and Quantum Subspace Methods, offer practical solutions but face limitations in circuit depth and measurement overhead. In this article, we propose a variational strategy based on symmetry-preserving cost functions to iteratively construct a reduced subspace for the extraction of low-lying energy states. We show that, under certain conditions, our approach leads to a tridiagonal representation similar to that obtained with the Lanczos algorithm. The iterative process allows control over the trade-off between circuit depth, the number of variational parameters, and the number of measurements required to achieve the desired accuracy, making it suitable for current quantum hardware. 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.
Finding the eigenstates of a many-body Hamiltonian is a fundamental challenge in physics and computational science. Since the search space grows exponentially with system size, numerous classical and quantum algorithms have been developed to address this problem. A practical strategy is to identify a physics-informed low-dimensional subspace that effectively accommodates the low-lying eigenstates, thereby reducing the computational complexity. In this paper, we propose a recursive module-coupling algorithm, which iteratively treats a system as a composition of locally-coupled smaller modules, with low-energy subspace estimated successively according to the same recursive structure. Unlike the density matrix renormalization group (DMRG) approach that optimizes a global matrix product state through repeated local sweeps and obtains excited states sequentially, our algorithm constructs a physically tailored variational basis from module eigenstates and obtains several low-energy states on an equal footing, leading to substantial speedups if targeting moderate accuracy. Our proposed method further leads naturally to a recursive quantum variational algorithm, providing a systematic and modular circuit-construction framework compatible with contemporary gate-based quantum architectures. At each recursive level, block encoders are trained to map logical basis states onto the retained physical subspace, within which a variational circuit is subsequently optimized. Such a quantum-circuit implementation provides not only a quantum multistate eigensolver, but also a systematic prescription for hierarchically constructing quantum state-preparation circuits. Classical simulations demonstrate the accuracy and efficiency of the proposed method, whereas experiments on IBM quantum processors show that eigenstate preparation with reasonable fidelities is achievable even in the current NISQ era.
In this thesis, I explore the domain of hybrid quantum-classical computation, the foremost approach for utilizing Noisy Intermediate-Scale Quantum (NISQ) devices. The opening chapter presents an overview of Variational Quantum Algorithms (VQAs), highlighting the primary algorithmic challenges. It offers an in-depth review of the Quantum Approximate Optimization Algorithm (QAOA), discussing its variants for ground state preparation. In the second chapter, we apply QAOA for the supervised learning of a simple Binary Neural Network. This model represents an idealized yet prototypical example of classical combinatorial optimization problems involving multi-spin interactions. In the following chapters, the discussion shifts toward quantum many-body ground state preparation, focusing on the one-dimensional Heisenberg XYZ model and the longitudinal-transverse-field Ising model (LTFIM). We have developed a novel technique that, at any point in the phase diagram, leverages the transferability of a specific class of optimal schedules from systems with small to those with larger numbers of qubits. This approach mitigates trainability issues, specifically vanishing gradients (Barren Plateaus). Next, we tailor a QAOA scheme to characterize a topological quantum phase transition within a lattice gauge theory model. This investigation is particularly significant due to its implications for high-energy physics and relevance to quantum error correction and surface codes. In the concluding chapter, I propose new stimulating research directions and help to identify core challenges and unresolved questions in variational quantum computing that transcend any particular application domain.
Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in solving the ground state problem are the Variational Quantum Eigensolver (VQE) and Adiabatic Quantum Computing (AQC) algorithms. VQE often struggles with convergence due to the energy landscape being highly non-convex and the existence of barren plateaux, and implementing AQC is beyond the capabilities of current quantum devices as it requires deep circuits. Adiabatically-inspired algorithms aim to fill this gap. In this paper, we first present a unifying framework for these algorithms and then benchmark the following methods: the Adiabatically Assisted VQE (AAVQE) (Garcia-Saez and Latorre (2018)), the Variational Adiabatic Quantum Computing (VAQC) (Harwood et al (2022)), and the Adiabatic Quantum Computing with Parametrized Quantum Circuits (AQC-PQC) (Kolotouros et al (2025)) algorithms. Second, we introduce a novel hybrid approach termed G-AQC-PQC, which generalizes the AQC-PQC method, and combines adiabatic-inspired initialization with the low-memory BFGS optimizer, reducing the quantum computational cost of the method. Third, we compare the accuracy of the methods for chemistry applications using the beryllium hydride molecule (BeH2). We compare the approaches across a number of different choices (ansätze types, depth, discretization steps, initial Hamiltonian, adiabatic schedules and method used). Our results show that the G-AQC-PQC outperforms conventional VQE. We further discuss limitations such as the zero-gradient problem and identify regimes where adiabatically-inspired methods offer a tangible advantage for near-term quantum chemistry applications.
Quantum computing has the potential to transform simulations of quantum many-body problems at the heart of electronic structure theory. Efficient quantum algorithms to compute the eigenstates of fermionic Hamiltonians, such as quantum phase estimation, rely critically on high-accuracy initial state preparation. While several state preparation algorithms have been proposed for fermionic ground states, the preparation of excited states remains a major challenge, limiting the applicability of quantum algorithms to photochemistry and photophysics. In this contribution, we describe a physically motivated adiabatic state preparation technique for low-lying bright excited states using the explicit coupling between electrons and photons. Our approach systematically converges to the first bright excited state and can target different symmetry sectors by changing the photon polarization. We demonstrate the preparation of high-fidelity excited states for the Hubbard model and methylene molecule across a range of correlation regimes, and perform a successful hardware implementation for a model Hamiltonian.