A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et al., arXiv:2505.04514] proposed first- and second-order classical and hybrid quantum-classical algorithms for solving a dual chemical potential maximization problem, and they proved that these algorithms converge to global optima by means of gradient-ascent approaches. In this paper, we benchmark these algorithms on several problems of interest in thermodynamics, including one- and two-dimensional quantum Heisenberg models with nearest- and next-nearest neighbor interactions and with the charges set to the total x, y, and z magnetizations. We also offer an alternative compelling interpretation of these algorithms as methods for designing ground and thermal states of controllable Hamiltonians, with potential applications in molecular and material design. Furthermore, we introduce stabilizer thermodynamic systems as thermodynamic systems based on stabilizer codes, with the Hamiltonian constructed from a given code's stabilizer operators and the charges constructed from the code's logical operators. We benchmark the aforementioned algorithms on several examples of stabilizer thermodynamic systems, including those constructed from the one-to-three-qubit repetition code, the perfect one-to-five-qubit code, and the two-to-four-qubit error-detecting code. Finally, we observe that the aforementioned hybrid quantum-classical algorithms, when applied to stabilizer thermodynamic systems, can serve as alternative methods for encoding quantum information into stabilizer codes at a fixed temperature, and we provide an effective method for warm-starting these encoding algorithms whenever a single qubit is encoded into multiple physical qubits.
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et al., arXiv:2505.04514] proposed first- and second-order classical and hybrid quantum-classical algorithms for solving a dual chemical potential maximization problem, and they proved that these algorithms converge to global optima by means of gradient-ascent approaches. In this paper, we benchmark these algorithms on several problems of interest in thermodynamics, including one- and two-dimensional quantum Heisenberg models with nearest- and next-nearest neighbor interactions and with the charges set to the total x, y, and z magnetizations. We also offer an alternative compelling interpretation of these algorithms as methods for designing ground and thermal states of controllable Hamiltonians, with potential applications in molecular and material design. Furthermore, we introduce stabilizer thermodynamic systems as thermodynamic systems based on stabilizer codes, with the Hamiltonian constructed from a given code's stabilizer operators and the charges constructed from the code's logical operators. We benchmark the aforementioned algorithms on several examples of stabilizer thermodynamic systems, including those constructed from the one-to-three-qubit repetition code, the perfect one-to-five-qubit code, and the two-to-four-qubit error-detecting code. Finally, we observe that the aforementioned hybrid quantum-classical algorithms, when applied to stabilizer thermodynamic systems, can serve as alternative methods for encoding quantum information into stabilizer codes at a fixed temperature, and we provide an effective method for warm-starting these encoding algorithms whenever a single qubit is encoded into multiple physical qubits.
In quantum thermodynamics, a system is described by a Hamiltonian and a list of non-commuting charges representing conserved quantities like particle number or electric charge, and an important goal is to determine the system's minimum energy in the presence of these conserved charges. In optimization theory, a semi-definite program (SDP) involves a linear objective function optimized over the cone of positive semi-definite operators intersected with an affine space. These problems arise from differing motivations in the physics and optimization communities and are phrased using very different terminology, yet they are essentially identical mathematically. By adopting Jaynes' mindset motivated by quantum thermodynamics, we observe that minimizing free energy in the aforementioned thermodynamics problem, instead of energy, leads to an elegant solution in terms of a dual chemical potential maximization problem that is concave in the chemical potential parameters. As such, one can employ standard (stochastic) gradient ascent methods to find the optimal values of these parameters, and these methods are guaranteed to converge quickly. At low temperature, the minimum free energy provides an excellent approximation for the minimum energy. We then show how this Jaynes-inspired gradient-ascent approach can be used in both first- and second-order classical and hybrid quantum-classical algorithms for minimizing energy, and equivalently, how it can be used for solving SDPs, with guarantees on the runtimes of the algorithms. The approach discussed here is well grounded in quantum thermodynamics and, as such, provides physical motivation underpinning why algorithms published fifty years after Jaynes' seminal work, including the matrix multiplicative weights update method, the matrix exponentiated gradient update method, and their quantum algorithmic generalizations, perform well at solving SDPs.
We investigate variational problems in quantum thermodynamics at positive temperature, in which admissible states are constrained by prescribed outcomes of a finite set of measurements. We solve a problem raised by the recent work [Liu, Minervini, Patel, Wilde; arXiv:2505.04514 - Section C] and develop a general mathematical setup which allows a broad class of possible regularizations. Employing methods inspired by non-commutative optimal transport, we analyze the dual formulation of the problem, study the existence and characterization of maximizers, and investigate the qualitative behavior of the model in the zero-temperature limit. In the second part, we tailor this framework to quantum state tomography and quantum optimal transport. Finally, we address computational aspects, with particular attention to the convergence of algorithms in selected cases.
We study the semidefinite programs (SDPs) of quantum information whose variables are density operators, measurement operators, or unbounded positive semidefinite operators, together with their thermodynamic regularizations by the von Neumann, Fermi-Dirac, and Bose-Einstein entropies, which have been associated with Boltzmann, Fermi-Dirac, and Bose-Einstein statistics, respectively. We find that this correspondence is exact: the Fermi-Dirac and Bose-Einstein regularized SDPs coincide with the constrained free-energy minimization of an ideal Fermi or Bose gas whose Hamiltonian and non-commuting charges are the second quantizations of the SDP data and whose one-body density matrix is the SDP variable, while the Boltzmann framework corresponds to the single-particle case. We show that the three frameworks can be unified under one framework, in which each entropy-regularized dual is, up to a term linear in the chemical potentials, the grand potential of the corresponding system; the duals are unconstrained and concave in the chemical-potential vector, with gradient and Hessian given by thermal expectation values that hybrid quantum-classical algorithms can estimate. We further identify the Fermi-Dirac and Bose-Einstein relative entropies with the Umegaki relative entropy between quasi-free states, which yields their monotonicity under gauge-covariant Gaussian channels. The result places a wide class of SDPs and their solvers within the thermodynamics of ideal quantum gases and points to extensions to interacting gases.
Analog models of quantum information processing, such as adiabatic quantum computation and analog quantum simulation, require the ability to subject a system to precisely specified Hamiltonians. Unfortunately, the hardware used to implement these Hamiltonians will be imperfect and limited in its precision. Even small perturbations and imprecisions can have profound effects on the nature of the ground state. Here we consider an imperfect implementation of adiabatic quantum optimization and show that, for a widely applicable random control noise model, quantum stabilizer encodings are able to reduce the effective noise magnitude and thus improve the likelihood of a successful computation or simulation. This reduction builds upon two design principles: summation of equivalent logical operators to increase the energy scale of the encoded optimization problem, and the inclusion of a penalty term comprising the sum of the code stabilizer elements. We illustrate our findings with an Ising ladder and show that classical repetition coding drastically increases the probability that the ground state of a perturbed model is decodable to that of the unperturbed model, while using only realistic two-body interaction. Finally, we note that the repetition encoding is a special case of quantum stabilizer encodings, and show that this in principle allows us to generalize our results to many types of analog quantum information processing, albeit at the expense of many-body interactions.
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.
This thesis is devoted to four modern quantum optimisation algorithms and their applications. In the first chapter, we provide a complete Quantum Approximate Optimisation Algorithm (QAOA) pipeline for the discrete global minimum-variance portfolio (DGMVP) problem. We introduce an ansatz with efficient initial-state preparation, new hard mixing operators satisfying the constraints of the DGMVP problem, and scalable cost operators utilising binary encoding of the qubits. Benchmarking the method with the most effective optimisation strategies---dual annealing and unfrozen layerwise optimisation---indicates a scaling advantage over classical methods in finding the global optimum of the DGMVP problem. In the second chapter, we show an end-to-end quantum/quantum-inspired Goemans-Williamson semidefinite programming (SDP) method for relaxing Quadratic Unconstrained Binary Optimisation (QUBO) problems and extracting their rounding energy. Our method identifies a class of QUBO instances that is effectively solvable in polylogarithmic time relative to the problem dimension, under the assumptions of Pauli sparsification of the QUBO cost matrix, reducibility of the diagonal constraints, and efficient evaluation of the corresponding Gibbs-state expectation values. Further, we identify the commuting 1D Hamiltonian and the Kronecker graph as practically important instances. Our numerical experiments show that our method solves the SDP and QUBO with up to 250 variables for 1D Hamiltonian instances and achieves results competitive with the best classical solver for Kronecker graphs, giving strong evidence of the power of our algorithm. In the third chapter, we improve the current QAOA method with an iterative warm-start initial-state preparation method. We implement the t-th order statistic state as the warm-start initial state generated from each QAOA optimisation loop. We achieve an improved approximation ratio when solving the 3-regular MaxCut problem, and find that the worst-case approximation ratio converges to that of the best classical algorithm for p=1 QAOA. Additionally, our method achieves more favourable scaling than standalone QAOA, single-string warm-started QAOA, and a classical constrained-sampling approach when solving the DGMVP problem. In the fourth chapter, we provide a hard-constrained Grover adaptive search (GAS) method for fixed-sum quadratic binary optimisation problems, and an extension of the alternating direction method of multipliers (ADMM) framework for fixed-sum quartic binary optimisation. Our method guarantees at least a quadratic speed-up over the classical method, and exponentially reduces the gate count for solving fixed-sum binary optimisation when compared with the soft-constrained GAS in the fault-tolerant quantum computing regime. In summary, our contributions include efficient algorithms and novel frameworks that substantially improve performance and broaden the applicability of these quantum optimisation methods. The proposed methods exhibit favourable scaling behaviour and indicate potential quantum advantages in solving challenging optimisation problems, thereby motivating further research at the interface of quantum computing and optimisation.