Quantum simulators hold enormous promise for advancing the modelling of materials and understanding emergent physics, such as high temperature superconductivity and topological order. While correlation functions are, typically, straightforward to measure in quantum simulators, thermodynamic properties are not. This limits our ability to directly compare the results of quantum simulations to experiments on the materials being modelled. Maxwell relations are an extremely powerful tool for characterising complex materials, as they enable the determination of challenging-to-measure thermodynamic properties from more accessible ones. Here, we introduce generalised Maxwell relations that relate every thermodynamic quantity to a single local correlation function. We illustrate their utility by deducing the thermodynamic properties of several iconic quantum many-body models from pair correlation functions using the generalised Maxwell relations. We show that this {universal} approach is readily accessible in quantum simulators and suggest applications to condensed matter systems where thermodynamic measurements are challenging, such as atomically thin materials.
Quantum simulators hold enormous promise for advancing the modelling of materials and understanding emergent physics, such as high temperature superconductivity and topological order. While correlation functions are, typically, straightforward to measure in quantum simulators, thermodynamic properties are not. This limits our ability to directly compare the results of quantum simulations to experiments on the materials being modelled. Maxwell relations are an extremely powerful tool for characterising complex materials, as they enable the determination of challenging-to-measure thermodynamic properties from more accessible ones. Here, we introduce generalised Maxwell relations that relate every thermodynamic quantity to a single local correlation function. We illustrate their utility by deducing the thermodynamic properties of several iconic quantum many-body models from pair correlation functions using the generalised Maxwell relations. We show that this {universal} approach is readily accessible in quantum simulators and suggest applications to condensed matter systems where thermodynamic measurements are challenging, such as atomically thin materials.
Characterizing quantum phases-of-matter at finite-temperature is essential for understanding complex materials and large-scale thermodynamic phenomena. Here, we develop algorithmic protocols for simulating quantum thermodynamics on quantum hardware through quantum kernel function expansion (QKFE), producing the free energy as an analytic function of temperature with uniform convergence. These protocols are demonstrated by simulating transverse field Ising and XY models with superconducting qubits. In both analogue and digital implementations of the QKFE algorithms, we exhibit quantitative agreement of our quantum simulation experiments with the exact results. Our approach provides a general framework for computing thermodynamic potentials on programmable quantum devices, granting access to key thermodynamic properties such as entropy, heat capacity and criticality, with far-reaching implications for material design and drug development.
Quantum many-body systems are comprised of complex networks of microscopic interactions that work together to produce novel collective phases and phenomena. \nFor strongly-interacting systems, the connection between the underlying atomic-scale behaviour and the resulting emergent observable phenomena is exponentially (and, in practice, infinitely) complicated such that it becomes impossible to fully understand the connection between the physics at the microscopic and macroscopic levels. \nThe most promising theoretical approaches to addressing this infinite complexity utilize microscopic coarse-graining along with powerful computational simulations and strategies. \nIn this thesis, we apply numerical methods to effective lattice models and field theories with the goal of shedding light onto universal critical behaviour and exotic low-temperature phases in condensed matter physics. \n \nWe start by exploring universal features of critical non-interacting systems, for which several analytical strategies are readily available for calculating certain observables. \nWe study the behaviour of the system's entanglement for various entangling geometries, and utilize numerical techniques in order to isolate new universal features of Gaussian fixed points, which provide insight into the underlying critical theory's renormalization group flow. \nWe then proceed to examine computational strategies and, in particular, Monte Carlo simulations for studying more general interacting models. \nWe focus on the application of such strategies to the field of high-temperature superconductivity, for which we develop a coarse-grained model, simulate macroscopic observables and compare our results with those of recent experiments. \nWe conclude that lattice field theories together with innovative computational methods offer new perspectives on both universality and emergent phenomena in quantum matter.
Quantum simulation is a highly ambitious program in cold atom research currently being pursued in laboratories worldwide. The goal is to use cold atoms in optical lattices to simulate models for unsolved strongly correlated systems, so as to deduce their properties directly from experimental data. An important step in this effort is to determine the temperature of the system, which is essential for deducing all thermodynamic functions. This step, however, remains difficult for lattice systems at the moment. Here, we propose a method based on a generalized fluctuation-dissipation theorem. It does not rely on numerical simulations and gives a universal thermometry scheme for quantum gas systems including mixtures and spinor gases, provided that the local density approximation is valid.
Fermions are basic building blocks in the standard model. Interactions among these elementary particles determine how they assemble and consequently form various states of matter in our nature. Simulating fermionic degrees of freedom is also a central problem in condensed matter physics and quantum chemistry, which is crucial to understanding high-temperature superconductivity, quantum magnetism and molecular structure and functionality. However, simulating interacting fermions by classical computing generically face the minus sign problem, encountering the exponential computation complexity. Ultracold atoms provide an ideal experimental platform for quantum simulation of interacting fermions. This highly-controllable system enables the realizing of nontrivial fermionic models, by which the physical properties of the models can be obtained by measurements in experiment. This deepens our understanding of related physical mechanisms and helps determine the key parameters. In recent years, there have been versatile experimental studies on quantum ground state physics, finite temperature thermal equilibrium, and quantum many-body dynamics, in fermionic quantum simulation systems. Quantum simulation offers an access to the physical problems that are intractable on the classical computer, including studying macroscopic quantum phenomena and microscopic physical mechanisms, which demonstrates the quantum advantages of controllable quantum systems. This paper briefly introduces the model of interacting fermions describing the quantum states of matter in such a system. Then we discuss various states of matter, which can arise in interacting fermionic quantum systems, including Cooper pair superfluids and density-wave orders. These exotic quantum states play important roles in describing high-temperature superconductivity and quantum magnetism, but their simulations on the classical computers have exponentially computational cost. Related researches on quantum simulation of interacting fermions in determining the phase diagrams and equation of states reflect the quantum advantage of such systems.
Relatively small many-body quantum systems are often used as hardware for quantum devices. Most of these devices will operate below the thermal limit where thermodynamics must be treated differently to account for quantum behaviours. It is therefore imperative that the thermodynamic properties of these systems are well understood, especially as they can limit the technologies but also help the fabrication and running of efficient quantum devices. \n \nIn this thesis we study quantum work and entropy production in closed many-body quantum systems out-of-equilibrium. We find that, for the systems studied, the largest average quantum work can be extracted in adiabatic weakly correlated regimes. These regimes are also seen to minimise the entropy produced, making them efficient regimes in which to operate devices based on these systems. \n \nAdiabatic evolutions are important for many quantum devices, and so it is important that they can be accurately characterised. The validity of current methods has been questioned recently, so in this thesis we propose the use of metrics as a good quantitative measure to characterise adiabaticity. We found that the density distance (a more accessible quantity than the wavefunction and its distance measures) alone can determine adiabaticity in a range of quantum systems, even at finite temperature. \n \nHowever, when calculating properties of many-body systems, there are many challenges often resulting in the need to approximate. In this thesis we propose a new style of approximation for quantum thermodynamic properties, taking inspiration from density functional theory (DFT). This new style uses the exact initial state of the system but approximates the dynamics and is seen to be computationally cheap but largely accurate. We test this with non-interacting and DFT approximated dynamics, finding that, surprisingly, the non-interacting dynamics give the most accurate results in most regimes, with the cheapest cost.
A key objective in nuclear and high-energy physics is to describe nonequilibrium dynamics of matter, e.g., in the early Universe and in particle colliders, starting from the standard model of particle physics. Classical computing methods, via the framework of lattice gauge theory, have experienced limited success in this mission. Quantum simulation of lattice gauge theories holds promise for overcoming computational limitations. Because of local constraints (Gauss's laws), lattice gauge theories have an intricate Hilbert-space structure. This structure complicates the definition of thermodynamic properties of systems coupled to reservoirs during equilibrium and nonequilibrium processes. We show how to define thermodynamic quantities such as work and heat using strong-coupling thermodynamics, a framework that has recently burgeoned within the field of quantum thermodynamics. Our definitions suit instantaneous quenches, simple nonequilibrium processes undertaken in quantum simulators. To illustrate our framework, we compute the work and heat exchanged during a quench in a Z_{2} lattice gauge theory coupled to matter in 1+1 dimensions. The thermodynamic quantities, as functions of the quench parameter, evidence a phase transition. For general thermal states, we derive a simple relation between a quantum many-body system's entanglement Hamiltonian, measurable with quantum-information-processing tools, and the Hamiltonian of mean force, used to define strong-coupling thermodynamic quantities.