In this dissertation, I theoretically investigate the equilibrium properties of three strongly correlated multi-level quantum platforms -- synthetic dimension using ultracold Rydberg atoms, multi-flavor Fermi-Hubbard simulators with ultracold atoms, and magnon-spin coupled rare-earth orthoferrites -- using various numerical and analytical methods. After the broad research motivation in the first chapter, Chapter 2 introduces the general principles of quantum simulation using synthetic dimension platforms. Chapter 3 discusses the first realization with Rydberg atom platform to simulate the topological Su-Schrieffer-Heeger (SSH) model, and how environmental noise affects it. Chapter 4 shows the mean-field phase diagram of dipole-coupled ultracold Rydberg atom arrays exhibiting quantum strings and other ordered states. The connection of the thermal phase transition to that of a classical extended Potts model is also discussed from a renormalization (RG) and generalized duality perspective. These examples illustrate the versatility of synthetic dimension in simulating and engineering quantum phenomena. Chapters 5-6 explore the properties of multi-flavor Fermi-Hubbard models on square optical lattices using numerical linked-cluster expansions (NLCE). First, I show universal thermodynamics of SU(N) Fermi-Hubbard models above superexchange temperatures. Then, I discuss the agreement between numerical simulated equations of state and correlation functions to optical lattice experiments using 173Yb [SU(N)-symmetric interactions] and three spin-flavors of 6Li [spin-dependent interactions] at intermediate temperatures. Thermometry performed with this method agrees well with the model-independent thermometry. Lastly, I propose a method of computing observables at low temperatures in bipartite ordered states by adding a suitable boundary field to the NLCE. NLCE agreeing to quantum simulations at temperatures above the superexchange temperatures and a possibility to make accurate predictions at low temperatures for certain states make it a powerful algorithm to be used side-by-side with quantum simulations. Chapter 7 is based on the observation of magnonic superradiance in ErFeO3. The spin Hamiltonian reveals a simultaneous kink and mode-softening of two of the lower polaritons, strongly suggesting a superradiant phase transition. Its mapping to an extended Dicke model is also discussed. This is the first evidence towards a macroscopically squeezed spin state. Finally, I conclude with a broad discussion and an outlook in Chapter 8.
In this dissertation, I theoretically investigate the equilibrium properties of three strongly correlated multi-level quantum platforms -- synthetic dimension using ultracold Rydberg atoms, multi-flavor Fermi-Hubbard simulators with ultracold atoms, and magnon-spin coupled rare-earth orthoferrites -- using various numerical and analytical methods. After the broad research motivation in the first chapter, Chapter 2 introduces the general principles of quantum simulation using synthetic dimension platforms. Chapter 3 discusses the first realization with Rydberg atom platform to simulate the topological Su-Schrieffer-Heeger (SSH) model, and how environmental noise affects it. Chapter 4 shows the mean-field phase diagram of dipole-coupled ultracold Rydberg atom arrays exhibiting quantum strings and other ordered states. The connection of the thermal phase transition to that of a classical extended Potts model is also discussed from a renormalization (RG) and generalized duality perspective. These examples illustrate the versatility of synthetic dimension in simulating and engineering quantum phenomena. Chapters 5-6 explore the properties of multi-flavor Fermi-Hubbard models on square optical lattices using numerical linked-cluster expansions (NLCE). First, I show universal thermodynamics of SU(N) Fermi-Hubbard models above superexchange temperatures. Then, I discuss the agreement between numerical simulated equations of state and correlation functions to optical lattice experiments using 173Yb [SU(N)-symmetric interactions] and three spin-flavors of 6Li [spin-dependent interactions] at intermediate temperatures. Thermometry performed with this method agrees well with the model-independent thermometry. Lastly, I propose a method of computing observables at low temperatures in bipartite ordered states by adding a suitable boundary field to the NLCE. NLCE agreeing to quantum simulations at temperatures above the superexchange temperatures and a possibility to make accurate predictions at low temperatures for certain states make it a powerful algorithm to be used side-by-side with quantum simulations. Chapter 7 is based on the observation of magnonic superradiance in ErFeO3. The spin Hamiltonian reveals a simultaneous kink and mode-softening of two of the lower polaritons, strongly suggesting a superradiant phase transition. Its mapping to an extended Dicke model is also discussed. This is the first evidence towards a macroscopically squeezed spin state. Finally, I conclude with a broad discussion and an outlook in Chapter 8.
The physics of strongly interacting particles is often extraordinarily rich, leading to the \textit{emergence} of fundamentally new phases and phenomena that cannot exist in the absence of correlations. This thesis is devoted to the study of different classes of quantum systems with such strong correlations. Programmable quantum simulators based on Rydberg atom arrays have recently emerged as versatile platforms to probe quantum many-body phases and their dynamics. In Chapter 2, we start with theories of quantum phase transitions (QPTs) in one-dimensional chains of Rydberg atoms. We demonstrate the existence of a novel QPT in the universality class of the Z3 chiral clock model, calculate its critical exponents, and discuss their measurement with the quantum Kibble-Zurek mechanism. Proceeding to two dimensions, Chapter 3 describes the zero-temperature phase diagram of a square-lattice Rydberg atom array, revealing several experimentally realizable density-wave-ordered phases and QPTs. For a different geometry, namely, the kagome lattice studied in Chapter 4, we identify a regime that constitutes a likely candidate for hosting a phase with long-range quantum entanglement and topological order. Based on mappings to dimer models and gauge theories, we argue for the existence of a quantum spin liquid phase that has proved elusive in solid-state materials. In the next part of this thesis, we focus on similarly strongly correlated phases in the realm of quantum materials. Motivated by recent observations of an enhanced thermal Hall response in the high-temperature cuprate superconductors, in Chapter 5, we study the thermal Hall conductivity, κxy, of chiral spin-liquid ans\"{a}tze on the square lattice, focusing on the contribution from neutral (bosonic or fermionic) spinons. Thereafter, going beyond mean-field theory, we consider the corrections due to emergent gauge fields, which yield a response of opposite sign to that of the fermionic matter. We additionally consider the contribution of phonons to κxy and establish its relation to the spinon Hall viscosity. Thermal Hall measurements also leave intriguing fingerprints in Kitaev materials like α-RuCl3, and in this context, Chapter 6 investigates the unquantized κxy obtained in a gapless spinon Fermi surface state.
Over the past few decades, quantum simulation with ultracold atoms in optical lattices has proven to be a useful tool for understanding many-body Hamiltonians.One of its primary directions is the experimental study of the Fermi Hubbard Model (FHM), which aims to capture the fundamental properties of cuprate superconductors and has produced a wide range of intriguing phenomena, including the metal-to-Mott insulator transition, antiferromagnetism, strange metallicity, pseudogap physics, and is frequently used in the study of superconductivity. In recent years, new kinds of quantum simulators have emerged, and in particular we focus on two of them: 1) quantum simulators that study high symmetry fermions in optical lattices, and 2) optical tweezer arrays which provide a bottom-up approach to engineering the FHM. The first class of emerging quantum simulators utilizes alkaline-earth-like atoms (AEA’s) – which have large nuclear spin I (such as 173Yb and 87Sr) – to engineer the SU(N = 2I +1) symmetric FHM, where N = 2,..., 10. The second class corresponds to quantum simulators based on optical tweezer arrays which combine deterministic single tweezer ground state loading and tunneling coupled sites. Both classes of quantum simulators are interesting on their own. For example, the SU(N) FHM is generating a lot of interest due to its connections to multiorbital solid state systems and theoretical predictions of rich phase diagrams which exhibit exotic phases of matter, including unusual ones like spin liquids. On the other hand, optical tweezer arrays have gained a lot of attention since they can be used to study arbitrary geometries and access very low-entropy samples. This thesis reports on the numerical study of both quantum simulation architectures. Results of the SU(N) FHM at finite temperature, for different fillings and interaction strengths that span the non-interacting to the strongly interacting limit are obtained using Determinant Quantum Monte Carlo, Exact Diagonalization, and Numerical Linked Cluster Expansion. In particular, we focus on how thermodynamic and magnetic observables, such as the number of on-site pairs, energy, entropy, spin correlations, and structure factors depend on N, the interaction strength U/t, temperature T/t, and the anisotropy of tunneling rates. Our results demonstrate that in a homogeneous square lattice with one particle per site on average, thermodynamic observables as a function of temperature obey a universal scaling with N, and that short-range antiferromagnetic correlations are stronger for larger N and in lower dimensions. In addition, we present theory-experiment comparisons where possible, where we perform thermometry and provide a precise characterization of the equation of state of the SU(N) FHM. Our results emerge as a tool to perform thermometry in experiments from theory-experiment comparison and also provide guidance for future experiments with AEAs in optical lattices. Additionally, we present calculations using numerically precise discrete variable representation methods for two-dimensional stroboscopic tweezer arrays and compare the outcomes with experimental data. We quantify the effects of stroboscopic potentials on Hubbard parameters like the interaction strength U and the tunneling t in optical tweezer arrays and illustrate how heating from the stroboscopic potential relies on strobe frequency. Our calculations enable evaluation and optimization of two-dimensional tweezer array experiments. An important milestone of the results of this thesis corresponds to the record temperatures and entropies achieved with these quantum simulation architectures: 1) the coldest fermions ever created in nature in absolute temperature and in cold atoms, and 2) the lowest entropy per particle fermions ever created, albeit in a so-far small system.
The study of quantum dynamics is an increasingly important aspect of atomic, molecular and optical physics, as well as condensed-matter physics and other disciplines. It is essential in order to understand non-equilibrium phenomena which do not fit within the framework of equilibrium thermodynamics, such as many-body localization, dynamical quantum phase transitions, and non-equilibrium steady states in driven-dissipative systems. However, the exact calculation of dynamical observables is extremely difficult in general for several reasons, which makes it challenging for theoretical predictions and analyses to keep pace with rapidly advancing experiments. In this thesis I use and develop several computational methods to investigate the dynamics of quantum many-body systems, with the two goals of better understanding the evolution of local observables and correlation functions in spin and Fermion systems as well as creating and testing more effective numerical methods for solving quantum dynamics problems. I explore quantum dynamics by using Hamiltonian parameter quenches in several commonly-used models in AMO physics and elsewhere: the Fermi-Hubbard model, the XXZ model, and the transverse-Ising model. The first represents a system of short-range interacting Fermions, while the latter two represent spin systems with different spin-spin couplings and magnetic field terms. All of these models can be realized in current experiments. First, I derive an exact solution for an extreme interaction quench in the Fermi-Hubbard model, from a strongly-interacting initial state to a noninteracting final Hamiltonian. From this result I show that there are nontrivial transient connected correlations, despite the fact that the system has very high temperature and a noninteracting Hamiltonian. Those features would suppress such correlations in equilibrium, but the dynamical correlations are still significant. Then, I develop and examine two numerical methods for solving dynamics of the spin expectation values and correlation functions in the transverse-Ising and XXZ models. Both methods rely on approximating a thermodynamically large system with a much smaller and more computationally tractable cluster of lattice sites, or a series of clusters. The first method is a dynamical numerical linked cluster expansion (NLCE). NLCEs have already been used successfully on systems in thermodynamic equilibrium, and I extended the technique to directly compute the dynamics of an observable after a quantum quench. I review the general NLCE method, describe my dynamical variant of it, and compute the quench dynamics of spin and correlation observables in the transverse-Ising and XXZ models. The second method, which I term the adaptive-boundary cluster method, relies on recently refined bounds on information propagation in quantum systems to choose a cluster of lattice sites that minimizes the finite size error bound of a dynamical computation. I briefly review these bounds, and describe a new algorithm which uses them to construct a cluster whose boundary is chosen according to a related error estimate. Such an adaptive-boundary cluster has the property that there exists a computable upper bound on the finite size error of observables measured at the cluster center, and this error bound is nearly minimal when compared to that of other clusters of the same size. I then compute the quench dynamics of spin and correlation observables in the transverse-Ising model using the adaptive boundary clusters. I apply this method to both uniform and strongly disordered systems. To evaluate the effectiveness of both dynamical NLCE and adaptive-boundary clusters, I compare the results obtained using them to results from a standard and general purpose numerical method: exact solvers applied a rectangular cluster with periodic boundary conditions. Both of the new methods usually converge faster and are more accurate than the standard method for comparable cluster sizes. This thesis illustrates that choosing numerical methods which take advantage of the geometric and entanglement structure of the initial state and Hamiltonian can substantially enhance our ability to study quantum dynamics, by reducing the computational cost of numerically exact solutions. I conclude with a discussion of various avenues for future research to build on this work.
Among the most compelling targets for quantum simulation are strongly correlated phases and electronic-structure problems, where interactions organize electrons into collective states and produce intricate low-temperature phase diagrams. Cuprate superconductors are a canonical example: at low doping, superconductivity emerges from a metallic regime that exhibits a pseudogap above the critical temperature. Ultracold atoms in optical lattices provide a well-controlled, tunable setting to probe the microscopic mechanisms behind this behavior and, in fermion-native architectures, to implement electronic structure dynamics directly. This thesis demonstrates both large scale systematic analog quantum simulations in the most interesting regime of doped antiferromagnets and elementary high-fidelity gates as the basis for a digital or hybrid fermionic quantum processors in an optical lattice. Working with ultracold Lithium-6 in a two–dimensional optical superlattice, we first map the parameter space of the Fermi–Hubbard model over a wide range of temperatures and dopings. More than 40000 single-site spin- and density-resolved snapshots, spanning over a dense grid of doping levels and temperatures in a numerically challenging parameter space, reveal antiferromagnetic correlations extending across the system size and into the pseudogap regime. Temperatures down to T/t=0.2 are realized, determined by benchmarking the data to state-of-the-art numerical methods. By evaluating spin–charge correlators up to fifth order, we experimentally uncover a universal scaling behavior across the pseudogap crossover, governed by a single, doping-dependent temperature scale. These findings provide the first microscopic evidence of universal scaling in multi-point correlators and establish stringent benchmarks for future theoretical developments. On the same apparatus, we demonstrate that the controlled motion of fermions in double wells enables high-fidelity entanglement. Double-well potentials are used to engineer coherent pair-tunnelling and spin-exchange interactions that act as native SWAP^α operations. We demonstrate the collisional gate fidelities up to 99.8% and Bell-state lifetimes exceeding ten seconds, limited mainly by residual inhomogeneities in the optical potential. A composite pulse sequence isolates the pair-exchange channel, realizing the elementary building block required for fermionic quantum-chemistry algorithms. With the addition of site-selective addressing, our results mark a key step towards a fully digital, scalable fermionic quantum computer based on the controlled motion and entanglement of fermionic neutral atoms. The work establishes a hybrid analog-digital architecture: analog evolution under the Hubbard Hamiltonian yields thermodynamic states whose magnetic properties match and extend theoretical benchmarks, while digital collisional gates provide building blocks for error-corrected quantum computation and complex state preparation.
Synthetic-dimension platforms offer unique pathways for engineering quantum matter. We compute the phase diagram of a many-body system of ultracold atoms (or polar molecules) with a set of Rydberg states (or rotational states) as a synthetic dimension, where the particles are arranged in real space in optical microtrap arrays and interact via dipole-dipole exchange interaction. Using mean-field theory, we find three ordered phases---two are localized in the synthetic dimension, predicted as zero-temperature ground states by Sundar et al. [Sci. Rep. 8, 3422 (2018); Phys. Rev. A 99, 013624 (2019)], and one is a delocalized phase. We characterize them by identifying the spontaneously broken discrete symmetries of the Hamiltonian. We also compute the phase diagram as a function of temperature and interaction strength for both signs of the interaction. For system sizes with more than six synthetic sites and attractive interactions, we find that the thermal phase transitions can be first or second order, which leads to a tricritical point on the phase boundary. By examining the dependence of the tricritical point and other special points of the phase boundary on the synthetic dimension size, we shed light on the physics for thermodynamically large synthetic dimension.
Many strongly correlated quantum systems are difficult to study numerically because of the exponential growth of the Hilbert space combined with the failure of numerical methods in important parameter regimes. This includes the long-standing problems of high-temperature superconductivity and frustrated magnetism. A promising solution to this dilemma are quantum simulators, well-controlled (synthetic) quantum systems, emulating model Hamiltonians not only of condensed matter systems, where parameters can be tuned at will and model complexity can be added step by step. This dissertation presents numerical simulation studies that are motivated by quantum simulators. Using large-scale quantum Monte Carlo computer simulations and mean-field theory the semiquantitative ground state phase diagram of a Penning ion trap quantum simulator, realizing a two-dimensional model of quantum magnetism with long-range interactions, is obtained. We study also thermal and quantum phase transitions in one-dimensional transverse-field Ising models with long-range interactions, which exhibit a Kosterlitz-Thouless transition and universality classes with continuously varying critical exponents. The second part of this thesis is concerned with the Fermi-Hubbard model, which has been realized recently with ultracold atoms in optical lattices, both for repulsive and attractive interactions. Equipped with a quantum gas microscope, which allows single-site single-atom detection, these experimental setups can collect histograms of the particle number from repeated projective measurements. This dissertation presents a method to compute such full counting statistics for quadratic operators such as particle number or magnetization in the framework of determinantal quantum Monte Carlo. From an analysis of the full counting statistics of the particle number for different subsystem sizes the size of preformed pairs or Cooper pairs in the attractive Hubbard model is inferred. Furthermore, excellent agreement of the numerically computed probability distribution of the staggered magnetization with a recent quantum gas experiment demonstrates that current experiments are capable of resolving the differences between the Hubbard model and its limiting Heisenberg model. An extensive method section reviews the stochastic series expansion quantum Monte Carlo method for Ising models in a transverse field, which is free of the sign problem for arbitrary interactions, with special emphasis on the efficient simulation of long-range interactions. Also a self-contained introduction to the determinantal quantum Monte Carlo method is provided.