SOLAX: A Python solver for fermionic quantum systems with neural network support

Presented is a second quantized technology for representing fermionic and bosonic entanglement in terms of generalized joint ladder operators, joint number operators, interchangers, and pairwise entanglement operators. The joint number operators generate conservative quantum logic gates that are used for pairwise entanglement in quantum dynamical systems. These are most useful for quantum computational physics. The generalized joint operator approach provides a pathway to represent the Temperley-Lieb algebra and to represent braid group operators for either fermionic or bosonic many-body quantum systems. Moreover, the entanglement operators allow for a representation of quantum measurement, quantum maps (associated with quantum Boltzmann equation dynamics), and for a way to completely and efficiently extract all accessible bits of joint information from entangled quantum systems in terms of quantum propositions.

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.

The idea of the out-of-time-order correlator (OTOC) has recently emerged in the study of both condensed matter systems and gravitational systems. It not only plays a key role in investigating the holographic duality between a strongly interacting quantum system and a gravitational system, it also diagnoses the chaotic behavior of many-body quantum systems and characterizes information scrambling. Based on OTOCs, three different concepts-quantum chaos, holographic duality, and information scrambling-are found to be intimately related to each other. Despite its theoretical importance, the experimental measurement of the OTOC is quite challenging, and thus far there is no experimental measurement of the OTOC for local operators. Here, we report the measurement of OTOCs of local operators for an Ising spin chain on a nuclear magnetic resonance quantum simulator. We observe that the OTOC behaves differently in the integrable and nonintegrable cases. Based on the recent discovered relationship between OTOCs and the growth of entanglement entropy in the many-body system, we extract the entanglement entropy from the measured OTOCs, which clearly shows that the information entropy oscillates in time for integrable models and scrambles for nonintgrable models. With the measured OTOCs, we also obtain the experimental result of the butterfly velocity, which measures the speed of correlation propagation. Our experiment paves a way for experimentally studying quantum chaos, holographic duality, and information scrambling in many-body quantum systems with quantum simulators.

Pauli structures arising from confined particles interacting via a statistical potential

Ultracold atoms in optical lattices provide an extremely clean and controllable setting to explore quantum many-body phases of matter. Here we give a brief review of the strong-correlation physics that has been realized using such ultracold atoms in optical lattices ranging from the realization of Hubbard models to studies of quantum magnetism and the detection of single atoms with lattice site resolution. All this has opened up fundamentally new opportunities for the investigation of quantum many-body systems. Introduction Over the past years, ultracold atoms in optical lattices have emerged as versatile new systems to explore the physics of quantum many-body systems. On the one hand, they can be helpful in gaining a better understanding of known phases of matter and their dynamical behavior; on the other hand, they allow one to realize completely novel quantum systems that have not been studied before in nature [1, 2, 3]. Commonly, the approach of exploring quantum many-body systems in such a way is referred to as “quantum simulations.” Examples of some of the first strongly interacting many-body phases that have been realized both in lattices and in the continuum include the quantum phase transition from a superfluid to a Mott insulator [4, 5, 6], fermionic Mott insulators [7, 8], the achievement of a Tonks- Girardeau gas [9, 10], and the realization of the Bose-Einsten condensate (BEC)– Bardeen-Cooper-Schrieffer (BCS) crossover (see also Chapter 12) in Fermi gas mixture [11] using Feshbach resonances [12]. In almost all of these experiments, detection was limited to time-of-flight imaging or more refined derived techniques that mainly characterized the momentum distribution of the quantum gas [2]. For several years, researchers in the field have therefore aspired to employ in situ single-particle detection methods for the analysis of ultracold quantum gases. Only recently has it become possible to implement such imaging techniques, marking a milestone for the characterization and manipulation of ultracold quantum gases [13, 14, 15, 16, 17]. In our discussion, we will focus on one of the most successful of these techniques based on high-resolution fluorescence imaging. Despite being a rather new technique, such quantum gas microscopy has already proven to be an enabling technology for probing and manipulating quantum many-body systems. For the first time, controllable and strongly interacting many-body systems, as realized with ultracold atoms, could be observed on a local scale [17, 16].

Chaos makes isolated systems of many interacting particles quickly thermalize and forget about their past. Here, we show that quantum mechanics hinders chaos in many-body systems: although the quantum eigenstates are thermal and strongly entangled, exponentially many of them are scarred, that is, have an enlarged weight along underlying classical unstable periodic orbits. Scarring makes the system more likely to be found on an orbit it was initialized on, retaining a memory of its past and thus weakly breaking ergodicity, even at long times and despite the system being fully thermal and the eigenstate thermalization hypothesis fulfilled. We demonstrate the ubiquity of quantum scarring in many-body systems by considering a large family of spin models, including some of the most popular ones from condensed matter physics. Our findings, at hand for modern quantum simulators, prove structure in spite of chaos in many-body quantum systems.

This thesis is divided into two parts. In the first part we study quantum phases in bosonic systems in an optical lattice by using numerical unbiased Quantum Monte Carlo (QMC) method. Ultracold atoms experiments in optical lattices provide a possibility to simulate the materials of condensed matter in a clean and well-controled way. We focus on two components bosonic systems where exotic phases such as pair-superfluid and pair-supersolid appear. In the second part we provide numerical methods based on QMC simulations to study the entanglement properties of strong correlated systems. By employing the replica trick, we reconstruct the entanglement spectrum from the Renyi entropies. Furthermore, we study the trace of the power of the partial transposed reduced density matrix, which is related to the entanglement measurement negativity for mixed states. In the following we briefly summarize each chapter. In Chapter 1 we very briefly introduce the cold atom systems and the connection with QMC simulations. In Chapter 2 we review the QMC method based on the path integral (world line) representation. We focus on the directed worm algorithm which is an efficient algorithm with global updtae for bosonic and spin systems. All the following methods in this thesis – the method of two component bosonic systems, the reconstruction of entanglement spectrum and the measuring of partial transposed quantities, are based on directed worm algorithm introduced in this chapter. In Chapter 3 we discuss two component bosons in a square lattice. We show that the interspecies attraction and nearest-neighbor intraspecies repulsion result in the pair-supersolid phase, where a diagonal solid order coexists with an off-diagonal pair-superfluid order. The quantum and thermal transitions out of the pair-supersolid phase are characterized. It is found that there is a direct first-order transition from the pair-supersolid phase to the double-superfluid phase without an intermediate region. Furthermore, the melting of the pair-supersolid occurs in two steps. Upon heating, first the pair-superfluid is destroyed via a Kosterlitz-Thouless transition, then the solid order melts via an Ising transition. In Chapter 4 we represent a new method to reconstruct a subset of the entanglement spectrum of quantum many body systems by QMC, where the method can in principle be applied to two or higher dimension. The approach builds on the replica trick to evaluate particle number resolved traces of the first n of powers of a reduced density matrix. From this information we reconstruct first n entanglement spectrum levels using a polynomial root solver. We illustrate the power and limitations of the method by an application to the extended Bose-Hubbard model in one dimension where we are able to resolve the quasidegeneracy of the entanglement spectrum in the Haldane-insulator phase. In general, the method is able to reconstruct the largest few eigenvalues in each symmetry sector. In Chapter 5 we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct scale invariant combinations that are related to the negativity, a true measure of entanglement for two intervals embedded in a chain. In particular, we study several scale invariant combinations of the moments for the 1D hard-core boson model. For two adjacent intervals unusual finite size corrections are present, showing parity effects that oscillate with a filling dependent period. For large chains we find perfect agreement with conformal field theory (CFT) calculations. Oppositely, for disjoint intervals corrections are more severe and CFT is recovered only asymptotically. Furthermore, we provide evidence that their exponent is the same as that governing the corrections of the mutual information. Additionally we study the 1D Bose-Hubbard model in the superfluid phase. The finite-size effects are smaller and QMC data are already in impressive agreement with CFT at moderate large sizes.

Pauli's exclusion principle has a strong impact on the properties of most fermionic quantum systems. Remarkably, the fermionic exchange symmetry implies further constraints on the one-particle picture. By exploiting those generalized Pauli constraints we derive a measure which quantifies the influence of the exchange symmetry beyond Pauli's exclusion principle. It is based on a geometric hierarchy induced by the exclusion principle constraints. We provide a proof of principle by applying our measure to a simple model. In that way, we conclusively confirm the physical relevance of the generalized Pauli constraints and show that the fermionic exchange symmetry can have an influence on the one-particle picture beyond Pauli's exclusion principle. Our findings provide a new perspective on fermionic multipartite correlation since our measure allows one to distinguish between static and dynamic correlations.

Variational study of fermionic and bosonic systems with non-Gaussian states: Theory and applications

While the scaling of entanglement in a quantum system can be used to distinguish many-body quantum phases, it is usually hard to quantify the amount of entanglement in mixed states of open quantum systems, while measuring entanglement experimentally, even for the closed systems, requires in general quantum state tomography. In this work we show how to remedy this situation in system with a fixed or conserved charge, e.g., density or magnetization, due to an emerging relation between quantum correlations and coherence. First, we show how, in these cases, the presence of multipartite entanglement or quantumness can be faithfully witnessed simply by detecting coherence in the quantum system, while bipartite entanglement or bipartite quantum discord are implied by asymmetry (block coherence) in the system. Second, we prove that the relation between quantum correlations and coherence is also quantitative. Namely, we establish upper and lower bounds on the amount of multipartite and bipartite entanglement in a many-body system with a fixed local charge, in terms of the amount of coherence and asymmetry present in the system. Importantly, both for pure and mixed quantum states, these bounds are expressed as closed formulas, and furthermore, for bipartite entanglement, are experimentally accessible by means of the multiple quantum coherence spectra. In particular, in one-dimensional systems, our bounds may detect breaking of the area law of entanglement entropy. We illustrate our results on the example of a many-body localized system, also in the presence of dephasing.

Semiclassical results in the linear response theory

We study an open quantum system of free fermions on an infinite lattice coupled to a localized particle source. In the long time limit, the total number of fermions in the system increases linearly with growth rate dependent on the lattice geometry and dimensionality. We express the growth rate in terms of lattice Green functions and derive explicit formulae in one dimension and for the square lattice. The interplay between the dynamics and the coupling to the environment leads, in contrast to classical systems, to a non-monotonic dependence of the particle growth rate on the input rate. We show that for all lattices the particle growth rate is inversely proportional to the input rate when the latter becomes large. This is a manifestation of the quantum Zeno effect.

We develop a many-particle quantum-hydrodynamical model of fermion matter interacting with the external classical electromagnetic and gravitational/inertial and torsion fields. The consistent hydrodynamical formulation is constructed for the many-particle quantum system of Dirac fermions on the basis of the nonrelativistic Pauli-like equation obtained via the Foldy–Wouthuysen transformation. With the help of the Madelung decomposition approach, the explicit relations between the microscopic and macroscopic fluid variables are derived. The closed system of equations of quantum hydrodynamics encompasses the continuity equation, and the dynamical equations of the momentum balance and the spin density evolution. The possible experimental manifestations of the torsion in the dynamics of spin waves is discussed.

We derive an exact expression for the second term in the activity expansion of S (Q,ω), the Fourier transform of Van Hove’s correlation function, for a quantum system of bosons or fermions (spin neglected). The results for both the self and distinct parts of this function are given in terms of standard two‐particle T matrices. The detailed‐balance condition and zeroth and first moment relations are confirmed. An expression for the second term in the activity expansion of S (Q), the structure factor, is obtained. The derivation follows directly from the definition of S (Q,ω) using formal operator techniques; in addition, we show that the conserving T approximation for two‐particle Green’s functions yields the same result.

Understanding out-of-equilibrium many-body quantum systems is an essential task in contemporary physics. While advanced numerical methods have been developed, capturing the universal dynamics of generic many-body quantum systems still remains a significant challenge. In this study, we focus on the multichannel Kondo impurity (MCKI) model, an intriguing theoretical model hosting an overscreened Kondo state with non-Fermi-liquid characteristics, which serves as a theoretical platform for investigating universal properties in many-body quantum dynamics. Utilizing the large-$N$ Schwinger-Keldysh approach, we systematically investigate both transient dynamics and long-time quasiequilibrium properties in the MCKI model following a sudden change of the Kondo coupling. Our investigations encompass two distinct initial states: the overscreened Kondo state and the high-temperature Fermi-liquid state. For the overscreened Kondo state initial condition, we observe oscillations in various physical observables, including spin-spin correlations and the Kondo order parameter. These oscillations signify the quantum revival of the entangled state that characterizes the overscreened Kondo state. On the other hand, in the case of the high-temperature Fermi-liquid initial state, the absence of oscillations can be attributed to the dephasing mechanism. Furthermore, we discover that the system reaches a quasiequilibrium on an $O(1)$ timescale. This quasiequilibrium manifests as incoherent thermalization between the impurity and the conduction electrons, in which we observe the nonvanishing effective temperature difference between the Abrikosov fermion representing the impurity spin and the composite boson formed by the Abrikosov fermion and the conduction electrons at the impurity site. This quasiequilibrium can be interpreted as prethermalization. Incorporating the $1/N$ correction, we demonstrate that the system attains complete thermalization on an $O(N)$ timescale. Additionally, we discuss the quantum cooling effect and quantum Boltzmann equations. Our comprehensive study establishes a foundation for investigating quantum many-body systems using large-$N$ quantum field-theory treatment, while our findings reveal several universal properties of quantum dynamics and provide a different perspective on prethermalization.