Quantum computers hold the potential of solving problems that are intractable using classical means. Yet, to date no quantum computer has actually solved a problem of general interest that could not have been solved otherwise. Bridging this gap from promised theoretical usefulness to practical relevance is an interdisciplinary challenge, requiring experimental progress, solutions of classical software challenges as well as advances in quantum algorithm design. It is these final two points in which this thesis aims to contribute. One of the most promising quantum computing architectures is based on trapping ions in surface-electrode ion-traps. In order to productively operate such trapped-ion quantum computers, we develop and benchmark a compiler that optimizes ion shuttling sequences in order to efficiently map abstract quantum circuits onto a physical trapped-ion chip. This is a necessary component of the infrastructure of a quantum computing setup, however it is alone not sufficient to execute arbitrary quantum algorithms. In particular, a very promising class of quantum algorithms are so-called hybrid quantum-classical algorithms which leverage the computational resources of both quantum and classical computers. To effectively implement such algorithms, a suitable software setup is necessary to allow for tight interplay between the two types of computers without wasting precious coherence time. To solve this challenge, we propose, implement and benchmark our setup for Interpreted Quantum-Classical Computations (IQCCs), demonstrating its feasibility for trapped-ion quantum computers. For the second part of this thesis we focus on the development of quantum algorithms that make use of this setup. As a first application, we investigate quantum simulations of gauge theories. Such theories are prevalent throughout modern physics and are characterized by local constraints that the dynamics are subject to. Errors in noisy simulations of such theories results in these constraints being violated and the simulations becoming unphysical. We show that this problem can be remedied by measuring gauge operators, decoding possible errors on a classical computer and actively correcting them, which reduces simulation errors. Additionally we interpret the scheme as a sympathetic cooling setup, which allows thermal control of the simulation. We finally turn to the task of preparing ground states of frustration-free Hamiltonians in quantum computers. Studying ground states of various systems is of paramount importance for solving optimization problems and understanding phenomena such as magnetism, superconductivity and superfluidity. We frame the ground-state preparation problem as an error correction problem, wherein energy is measured locally, measurements are decoded and corrections are applied to reduce the energy. In physically relevant examples we show up to exponentially improved runtimes over previous, similar algorithms and give a general run-time bound in terms of the Hamiltonian gap.
Quantum computers hold the potential of solving problems that are intractable using classical means. Yet, to date no quantum computer has actually solved a problem of general interest that could not have been solved otherwise. Bridging this gap from promised theoretical usefulness to practical relevance is an interdisciplinary challenge, requiring experimental progress, solutions of classical software challenges as well as advances in quantum algorithm design. It is these final two points in which this thesis aims to contribute. One of the most promising quantum computing architectures is based on trapping ions in surface-electrode ion-traps. In order to productively operate such trapped-ion quantum computers, we develop and benchmark a compiler that optimizes ion shuttling sequences in order to efficiently map abstract quantum circuits onto a physical trapped-ion chip. This is a necessary component of the infrastructure of a quantum computing setup, however it is alone not sufficient to execute arbitrary quantum algorithms. In particular, a very promising class of quantum algorithms are so-called hybrid quantum-classical algorithms which leverage the computational resources of both quantum and classical computers. To effectively implement such algorithms, a suitable software setup is necessary to allow for tight interplay between the two types of computers without wasting precious coherence time. To solve this challenge, we propose, implement and benchmark our setup for Interpreted Quantum-Classical Computations (IQCCs), demonstrating its feasibility for trapped-ion quantum computers. For the second part of this thesis we focus on the development of quantum algorithms that make use of this setup. As a first application, we investigate quantum simulations of gauge theories. Such theories are prevalent throughout modern physics and are characterized by local constraints that the dynamics are subject to. Errors in noisy simulations of such theories results in these constraints being violated and the simulations becoming unphysical. We show that this problem can be remedied by measuring gauge operators, decoding possible errors on a classical computer and actively correcting them, which reduces simulation errors. Additionally we interpret the scheme as a sympathetic cooling setup, which allows thermal control of the simulation. We finally turn to the task of preparing ground states of frustration-free Hamiltonians in quantum computers. Studying ground states of various systems is of paramount importance for solving optimization problems and understanding phenomena such as magnetism, superconductivity and superfluidity. We frame the ground-state preparation problem as an error correction problem, wherein energy is measured locally, measurements are decoded and corrections are applied to reduce the energy. In physically relevant examples we show up to exponentially improved runtimes over previous, similar algorithms and give a general run-time bound in terms of the Hamiltonian gap.
In recent years, the number of hybrid algorithms that combine quantum and classical computations has been continuously increasing. These two approaches to computing can mutually enhance each others’ performances thus bringing the promise of more advanced algorithms that can outmatch their pure counterparts. In order to accommodate this new class of codes, a proper environment has to be created, which enables the interplay between the quantum and classical hardware.For many of these hybrid processes the coherence time of the quantum computer arises as a natural time constraint, making it crucial to minimize the classical overhead. For ion-trap quantum computers however, this is a much less limiting factor than with superconducting technologies, since the relevant timescale is on the order of seconds instead of microseconds. In fact, we show that the operating time-scales of trapped-ion quantum computers are compatible with the execution speed of the Python programming language, enabling us to develop an interpreted scheme for real-time control of quantum computations. In particular, compilation of all instructions in advance is not necessary, unlike with superconducting qubits. This keeps the implementation of hybrid algorithms simple and also lets users benefit from the rich environment of existing Python libraries.In order to show that this approach of interpreted quantum-classical computations (IQCC) is feasible, we bring real-world examples and evaluate them in realistic benchmarks.
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.
Quantum computing will be one of the most incredible breakthroughs in science and technology of our generation. Although the ultimate goal of building quantum computers that hold thousands of error-corrected qubits is still beyond our reach, we have made substantial progress. Compared with the first-generation prototypes, holding a few qubits with gate errors of several percent, the latest generation systems can apply more than a hundred gates (with fidelities above 99%) to tens of fully connected qubits. This thesis focuses on the applications of such state-of-the-art ion-trap quantum computers. The latest generation ion-trap quantum computers have become complex enough that automation is necessary for optimal operations. We present a full-stack automation scheme implemented on a system at the University of Maryland. With the automation scheme, the system can operate without human interference for a few days. With automation, such systems can efficiently demonstrate different categories of applications. We present the experimental study of several hybrid algorithms aiming for generation modeling and efficient quantum state preparation. We also present a gate-based digital quantum simulation with the trotterization method. Our result accurately reproduced all the features expected from running the algorithms. Verifying quantum computations with classical simulation is getting increasingly challenging as quantum computers evolve. We present two approaches to validate quantum computations. First, we demonstrate a method based on random measurement for comparing the results from different quantum computers. Our comparison captures the similarities between quantum computers made with the same technology. We then present experimental works in verifying quantum advantage classically with interactive protocols. We show that our results, at scale with real-time interaction, can demonstrate quantum advantages.
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.
Quantum information science has emerged as one of the most promising fields in contemporary research, relying on both software and hardware innovations. This thesis looks for both algorithms with quantum features that provide advantages over classical algorithms, and better hardware platforms for experiments and quantum computing. The work spans theoretical studies in both algorithm and hardware design, including hybrid quantum-classical algorithms and the development of quantum information processing platforms. The algorithmic part has focused on the performance of a hybrid quantum algorithm - the Grover Quantum Approximate Optimization Algorithm (Grover QAOA) - designed for problems with multiple solutions. In practice, we find its potential for speedup in solution search and its ability to find all solutions. Furthermore, we propose a simplified protocol that reduces the classical complexity of optimizing the algorithm’s parameters, enhancing its practicality for future applications. Our implementation of Grover QAOA for multiple combinatorial optimization problems on trapped-ion quantum computers demonstrates that the algorithm can fulfill its fair-sampling advantage even on noisy devices. In the hardware part, we mainly explore how the motion of cold atoms can either be used to engineer interactions or lead to previously overlooked decoherence. The first hardware platform we discuss is trapped ions, where we focus on implementing individual addressing to natively simulate new types of many-body systems. Our proposal leverages the exceptional controllability of trapped ions to explore dynamical models such as topological pumping. The second hardware platform we study is Rydberg atom lattices, where we investigate the decoherence processes introduced by atomic motion during dynamics. Using the numerical tool of discrete truncated Wigner approximation, we simulate the coupled dynamics of electronic and motional degrees of freedom, demonstrating that atom motion induced by strong van der Waals interactions in Rydberg atoms can lead to significant decoherence in analog simulation experiments. We have also explored specialized topics involving other quantum hardware platforms. One area of study is the reduction of frequency crowding in superconducting circuit quantum chips. By properly designing the frequencies for each transmon qubit, we can improve the manufacturing yield of collision-free processors. Another area focuses on the SU(N) Fermi-Hubbard models on alkaline-earth-metal optical lattice platforms. We have obtained the phase diagram of unit-filling models with imbalanced spin flavors. This work aids future experiments in searching for potential ground states of the unit-filling SU(N) model.