Quantum computers promise an exciting path to the scalable simulation of quantum matter. However, in their nascent state, the accessible gate depth of quantum computation on available hardware remains highly constrained. In this thesis, I present a suite of hybrid quantum-classical algorithms that aid Hamiltonian simulation across both the Noisy Intermediate-Scale Quantum era and future fault-tolerant architectures. By treating classical computation as an active resource to refine quantum algorithms, I develop automated, variational methods to learn hardware-efficient circuits. This work aims to overcome traditional trainability barriers, such as barren plateaus, by embedding physical symmetries directly into the circuit design. Central to the thesis is the synergistic use of tensor networks to classically pre-compute weakly entangled stages of a quantum simulation. This enables the compression of deep circuits, drastically reducing both the accumulation of gate errors on near-term physical qubits and the prohibitive overhead of operations like magic state distillation on error-corrected hardware, reserving the quantum processor strictly for the most challenging, highly entangled dynamics. These methodologies are ultimately directed toward the ab-initio simulation of subatomic physics, providing a scalable approach for the first-principles study of strongly correlated systems, including nuclear structure and lattice gauge theories.
Quantum computers promise an exciting path to the scalable simulation of quantum matter. However, in their nascent state, the accessible gate depth of quantum computation on available hardware remains highly constrained. In this thesis, I present a suite of hybrid quantum-classical algorithms that aid Hamiltonian simulation across both the Noisy Intermediate-Scale Quantum era and future fault-tolerant architectures. By treating classical computation as an active resource to refine quantum algorithms, I develop automated, variational methods to learn hardware-efficient circuits. This work aims to overcome traditional trainability barriers, such as barren plateaus, by embedding physical symmetries directly into the circuit design. Central to the thesis is the synergistic use of tensor networks to classically pre-compute weakly entangled stages of a quantum simulation. This enables the compression of deep circuits, drastically reducing both the accumulation of gate errors on near-term physical qubits and the prohibitive overhead of operations like magic state distillation on error-corrected hardware, reserving the quantum processor strictly for the most challenging, highly entangled dynamics. These methodologies are ultimately directed toward the ab-initio simulation of subatomic physics, providing a scalable approach for the first-principles study of strongly correlated systems, including nuclear structure and lattice gauge theories.
Variational quantum algorithms (VQAs) have emerged as a promising candidate for realizing quantum advantage in machine learning and optimization tasks on noisy intermediate-scale quantum (NISQ) devices. Despite significant theoretical promise, the practical impact of VQAs is constrained by the exponential growth in computational resources required for classical simulation, the onset of barren plateaus in parameterized landscapes, and the inherent difficulties of scaling classical optimization routines to circuits with many qubits and layers. Addressing these intertwined challenges is essential for both advancing quantum algorithm development and extracting actionable physical insights from modern quantum hardware.This dissertation develops, analyzes, and validates an efficient framework based on approximate tensor ring decompositions for the classical simulation, training, and benchmarking of variational quantum circuits and eigensolvers. The first component of this work formalizes the representation of quantum states and gates within a cyclic tensor ring structure, enabling the compression of parameterized quantum circuits to linear scaling in both qubit number and circuit depth, while preserving essential quantum correlations and entanglement structure. Gate operations are efficiently approximated via truncated singular value decomposition, and novel algorithms for forward propagation and gradient-based training in the tensor ring domain are developed. These methodological advances are systematically benchmarked on standard supervised learning tasks, including Iris and MNIST datasets, and compared to conventional statevector and matrix product state baselines, resulting in competitive accuracy and orders-of-magnitude reductions in simulation cost. Extending this framework, the dissertation also introduces a scalable method for gradient evaluation in variational quantum eigensolvers (VQE) using the approximate tensor ring representation. This approach enables the simulation and training of large circuits for combinatorial optimization problems, supporting practical qubit counts and circuit depths inaccessible to traditional simulation methods. Detailed experiments on the Maximum-Cut optimization problem demonstrate both the computational efficiency and robustness of the tensor ring framework in nontrivial optimization landscapes.Collectively, the results establish approximate tensor ring decomposition as a versatile and powerful framework for advancing quantum machine learning and discrete optimization, supporting both pre-deployment benchmarking on classical hardware and algorithm design for next-generation quantum devices. This work provides a foundation for the further exploration of scalable quantum-classical hybrid algorithms, with implications for quantum simulation, optimization, and beyond.
Computational methods are central to modern physics, yet many problems, especially those involving Quantum Many-Body Systems (QMBSs), remain challenging at scale. The core difficulty of simulating QMBSs is the exponential growth of the solution space with system size. This renders exact treatments intractable and pushes approximate methods to their limits when tackling two- and higher-dimensional systems and long-time dynamics. Quantum computers offer a quantum-native platform for representing and manipulating such systems. Recent algorithmic and technological advancements have enabled experiments on quantum processors in the quantum utility regime, a scale at which exact classical reproduction is no longer feasible. This represents the first step towards realizing quantum advantage, where quantum computers solve specific, practically relevant problems more efficiently than any classical approach. While advancing towards the goal of quantum advantage, useful computations on quantum processors are expected to be realised through hybrid quantum-classical algorithms, which combine quantum experiments and classical computational resources. A prominent example are variational quantum algorithms, where a Parametrized Quantum Circuit (PQC) prepares a trial quantum state whose parameters are iteratively updated by a classical optimisation routine to minimize a target cost function (e.g., the energy of a target Hamiltonian). However, the optimisation of such PQCs is affected by trainability issues, such as barren plateaus in the parameter landscape, which can render the optimisation increasingly difficult for larger system sizes. This motivates the development of novel hybrid approaches overcoming the limits of PQCs. In this thesis, we introduce a new class of approaches based on hybrid Tensor Networks (TNs). A hybrid TN is obtained by integrating quantum states prepared on a quantum processor within TNs -- one of the state-of-the-art approaches for simulating quantum systems. We first show how hybrid TNs can be used for ground-state searches within a variational setting. Then, we further extend the framework to non-variational hybrid TN ansätze for which the quantum tensors are prepared via quantum annealing and subsequently post-processed by classical TNs. In the context of quantum machine learning, which also relies on PQCs, we further investigate heuristic best practices that mitigate the same exponential concentration effects in kernel-based models for anomaly detection. Another class of hybrid algorithms are quantum error-mitigation workflows, where classical post-processing is used to reconstruct expectation values from noise-affected circuit executions. Such methods generally feature a trade-off between the bias and the variance: the price to pay for mitigating noise in a bias-free fashion is that the number of measurements usually grows exponentially with the depth of the circuit in order to achieve a fixed accuracy. In this thesis, we develop a low-resource error-mitigation strategy that reduces the measurement overhead in practical digital Hamiltonian-simulation workflows. We apply this method to Trotterized dynamics in a lattice-gauge-theory model, enabling the extraction of expectation values with improved accuracy at time-scales that allow the observation of post-collision scattering dynamics.
The accurate and efficient simulation of many body systems has been a long-standing challenge for quantum chemists and physicists. At the heart of this challenge lies the correlation between quantum particles, which is crucial in understanding various physical phenomena, but is numerically hard to calculate. Over the decades, there has been remarkable progress in simplifying this problem aided by mathematical and chemical approximations and the availability of powerful computers. However, an exact solution to the problem still remains intractable as it requires exponential re- sources with respect to the system size. Recent advances in the field of quantum computing have shown promise in Feynman’s idea of simulating quantum mechanics on quantum computers. It has been proposed that an ideal fault-tolerant quantum computer can reduce the scaling of these sim- ulations from exponential to polynomial. However, initial quantum algorithms have shown that there is a large gap between the capabilities of current hardware and the resources required for simulating quantum systems of interest. The work of this thesis focuses on reducing this gap by introducing two novel algorithms for quantum xiv chemistry simulations, which are suitable for near-term hardware. First, we intro- duce a hybrid algorithm to decrease the total number of operations required for the quantum simulations. We use a classical computer to generate an effective Hamilto- nian containing O(n2) terms compared to the O(n4) terms of the full Hamiltonian, where n is the number of orbitals. This sparse Hamiltonian can then be used with a high-level method to recover the ground state energies. We demonstrate that this sparsification of the Hamiltonian reduces the number of quantum operations required for the simulation by an order of magnitude, thus making it accessible for the near- term Hardware. Our second algorithm aims to make the calculation of dynamic correlation functions (Green’s functions) more feasible on these quantum machines. This algorithm is designed with the motive of avoiding the use of time-evolution and reduced use of two-qubit gates. We demonstrate that we can reproduce the Green’s function within reasonable error limits using this approach. We have also discussed the use of re-sampling techniques for proper error-propagation of the stochastic data obtained from the quantum machines. The general structure of this thesis is as follows. We begin by motivating this work in Chapter 1. Chapters 2 and 3 provide a general introduction of quantum computing and Green’s function based methods, respectively. In chapter 4, the development of effective Hamiltonian is discussed in detail. Chapter 5 demonstrates the use of these effective Hamiltonians on the quantum machine for time evolution. In chapter 6, we have discussed the algorithm to calculate Green’s functions on a quantum machine. This is followed by conclusions and future directions in Chapters 7 and 8, respectively.
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. Access to a computational space that incorporates quantum effects, such as superposition and entanglement, enables the derivation of promising quantum algorithms for important tasks, including preparing the ground state of a quantum system or predicting its evolution over time. Successfully tackling these tasks promises insights into significant theoretical and technological questions, such as superconductivity and the design of new materials. The aim of quantum algorithms is to use a series of quantum operations in a quantum circuit to solve a problem beyond the reach of classical computers. However, the noise and limited scale of current quantum computers restricts these circuits to moderate sizes and depths. As a result, many prominent algorithms are currently infeasible to run for problem sizes of practical interest. In response, recent research focused on variational quantum algorithms, which allow the selection of circuits that act within a quantum device's capabilities. Yet, these algorithms can require the execution of a large number of circuits, leading to prohibitively long computation times. This doctoral thesis develops two main techniques to reduce these quantum computational resource requirements, with the goal of scaling up application sizes on current quantum processors. The first approach is based on stochastic approximations of computationally costly quantities, such as quantum circuit gradients or the quantum geometric tensor (QGT). The second method takes a different perspective on the QGT, leading to a potentially more efficient description of time evolution on current quantum computers. Both techniques rely on maintaining available information and only computing necessary corrections, instead of re-computing possibly redundant data. The main focus of application for our algorithms is the simulation of quantum systems, broadly defined as including the preparation of ground and thermal states, and the real- and imaginary-time propagation of a system. The developed subroutines, however, can further be utilized in the fields of optimization or machine learning. Our algorithms are benchmarked on a range of representative models, such as Ising or Heisenberg spin models, both in numerical simulations and experiments on the hardware. In combination with error mitigation techniques, the latter is scaled up to 27 qubits; into a regime that variational quantum algorithms are challenging to scale to on noisy quantum computers without our algorithms.
While quantum computers promise to solve classically intractable problems, identifying the point at which fault-tolerant quantum computation outperforms the best classical algorithms for practical applications remains an outstanding challenge. Here we establish a concrete quantum-classical crossover for quantum many-body dynamics under realistic hardware conditions. We introduce a scalable fault-tolerant framework that combines coherent observable estimation with a space-time-efficient implementation of non-Clifford rotations, suppressing the residual logical errors that limit existing partially fault-tolerant approaches. A benchmark against state-of-the-art tensor-network and variational Monte Carlo algorithms reveals a concrete crossover for mixed-field Ising dynamics at modest system sizes. For a physical error rate of p=10−3, fault-tolerant simulation requires approximately 2 hours and 3.7×105 physical qubits for a 100-site 1D system, whereas tensor network approaches would require about 100 years. For 2D models, where rapid entanglement growth limits the classical evolution time, we project quantum runtimes within minutes. A physical error rate of p=10−4 leads to at least an order of magnitude reduction in qubit count (3.1×104 physical qubits) and runtime (minutes for 1D and seconds for 2D). The reduction in quantum runtime arises from our improved rotation-state injection and co-design of quantum error correction and observable-estimation protocols, which jointly suppress logical-error accumulation and reduce sampling overhead. Our results establish a scalable route towards practical quantum advantage and identify quantitative engineering targets for future fault-tolerant architectures.
While recent breakthroughs have proven the ability of noisy intermediate-scale quantum (NISQ) devices to achieve quantum advantage in classically-intractable sampling tasks, the use of these devices for solving more practically relevant computational problems remains a challenge. Proposals for attaining practical quantum advantage typically involve parametrized quantum circuits (PQCs), whose parameters can be optimized to find solutions to diverse problems throughout quantum simulation and machine learning. However, training PQCs for real-world problems remains a significant practical challenge, largely due to the phenomenon of barren plateaus in the optimization landscapes of randomly-initialized quantum circuits. In this work, we introduce a scalable procedure for harnessing classical computing resources to provide pre-optimized initializations for PQCs, which we show significantly improves the trainability and performance of PQCs on a variety of problems. Given a specific optimization task, this method first utilizes tensor network (TN) simulations to identify a promising quantum state, which is then converted into gate parameters of a PQC by means of a high-performance decomposition procedure. We show that this learned initialization avoids barren plateaus, and effectively translates increases in classical resources to enhanced performance and speed in training quantum circuits. By demonstrating a means of boosting limited quantum resources using classical computers, our approach illustrates the promise of this synergy between quantum and quantum-inspired models in quantum computing, and opens up new avenues to harness the power of modern quantum hardware for realizing practical quantum advantage.