Computing topological invariants in two-dimensional quasicrystals and supermoiré matter is a remarkable open challenge due to the absence of translational symmetry and the colossal number of sites inherent to these systems. Here, we establish a method to compute local topological invariants of exceptionally large systems using tensor networks, enabling the computation of invariants for Hamiltonians with hundreds of millions of sites, several orders of magnitude above the capabilities of conventional methodologies. Our approach leverages a tensor network representation of the density matrix using a Chebyshev tensor network algorithm, enabling large-scale calculations of topological markers in quasicrystalline and moiré systems. We demonstrate our methodology with two-dimensional quasicrystals featuring C_{8} and C_{10} rotational symmetries and mosaics of Chern phases. Our Letter establishes a powerful method to compute topological phases in exceptionally large-scale topological systems, providing the required tool to rationalize generic super-moiré and quasicrystalline topological matter.
Computing topological invariants in two-dimensional quasicrystals and supermoiré matter is a remarkable open challenge due to the absence of translational symmetry and the colossal number of sites inherent to these systems. Here, we establish a method to compute local topological invariants of exceptionally large systems using tensor networks, enabling the computation of invariants for Hamiltonians with hundreds of millions of sites, several orders of magnitude above the capabilities of conventional methodologies. Our approach leverages a tensor network representation of the density matrix using a Chebyshev tensor network algorithm, enabling large-scale calculations of topological markers in quasicrystalline and moiré systems. We demonstrate our methodology with two-dimensional quasicrystals featuring C_{8} and C_{10} rotational symmetries and mosaics of Chern phases. Our Letter establishes a powerful method to compute topological phases in exceptionally large-scale topological systems, providing the required tool to rationalize generic super-moiré and quasicrystalline topological matter.
Computing excitonic spectra in quasicrystal and super-moiré systems constitutes a formidable challenge due to the exceptional size of the excitonic Hilbert space. Here, we demonstrate a tensor-network method for the real-space Bethe-Salpeter Hamiltonian, allowing us to access the spectra of an excitonic 1018-dimensional Hamiltonian, and enabling the direct computation of bound-exciton spectral functions for systems exceeding one billion lattice sites, several orders of magnitude beyond the capabilities of conventional approaches. Our method combines a tensor-network encoding of the real-space Bethe-Salpeter Hamiltonian with a Chebyshev tensor network algorithm. This strategy bypasses explicit storage of the Hamiltonian while preserving full real-space resolution across widely different length scales. We demonstrate our methodology for one- and two-dimensional super-moiré systems, achieving the simultaneous resolution of atomistic and mesoscopic structures in the excitonic spectra in billion-size systems, showing exciton miniband formation and moiré-induced spatial confinement. Our results establish a real-space methodology enabling the simulation of excitonic physics in large-scale quasicrystal and super-moiré quantum matter.
Moiré and super-moiré materials provide exceptional platforms to engineer exotic correlated quantum matter. The vast number of sites required to model moiré systems in real space remains a formidable challenge due to the immense computational resources required. Super-moiré materials push this requirement to the limit, where millions or even billions of sites need to be considered, a requirement beyond the capabilities of conventional methods for interacting systems. Here, we establish a methodology that allows solving correlated states in systems reaching a billion sites, which exploits tensor network representations of real-space Hamiltonians and self-consistent real-space mean-field equations. Our method combines a tensor network kernel polynomial method with quantics tensor cross-interpolation algorithm, enabling us to solve ultralarge models, including those whose single-particle Hamiltonian is too large to be stored explicitly. We demonstrate our methodology with super-moiré systems featuring spatially modulated hoppings, many-body interactions, and domain walls, showing that it allows access to self-consistent symmetry-broken states and spectral functions of real-space models reaching a billion sites. Our methodology provides a strategy to solve exceptionally large interacting problems, providing a widely applicable strategy to compute correlated super-moiré quantum matter.
Computing spectral functions in large, non-periodic super-moiré systems remains an open problem due to the exceptionally large system size that must be considered. Here, we establish a tensor network methodology that allows computing momentum-resolved spectral functions of non-interacting and interacting super-moiré systems at an atomistic level. Our methodology relies on encoding an exponentially large tight-binding problem as an auxiliary quantum many-body problem, solved with a many-body kernel polynomial tensor network algorithm combined with a quantum Fourier transform tensor network. We demonstrate the method for one and two-dimensional super-moiré systems, including super-moiré with non-uniform strain, interactions treated at the mean-field level, and quasicrystalline super-moiré patterns. Furthermore, we demonstrate that our methodology allows us to compute momentum-resolved spectral functions restricted to selected regions of a super-moiré, enabling direct imaging of position-dependent electronic structure and minigaps in super-moiré systems with non-uniform strain. Our results establish a powerful methodology to compute momentum-resolved spectral functions in exceptionally large super-moiré systems, providing a tool to directly model quantum twisting microscope experiments in twisted van der Waals heterostructures.
Understanding quantum materials at meso and even macroscopic scales requires tight-binding calculations on system sizes where explicit matrix representations become prohibitively costly. This represents a major bottleneck to rationalize phenomena in moiré and super-moiré heterostructures and quasicrystals. Here, we present a unified tensor-network methodology to solve tight-binding problems at exceptionally large scales, by mapping a system of N=2L sites onto a many-body problem of L pseudospin sites, which is subsequently solved with tensor network algorithms. For Hamiltonians with compressible real-space structure, the tensor network bond dimension remains modest, typically of order a few tens, independent of N. Tensor network representations of arbitrary hopping functions including long-range, spatially modulated, and twisted-layer couplings are built with quantics tensor cross interpolation, and all physical observables are evaluated entirely with tensor network algebra without explicit matrix storage or diagonalization. We demonstrate applications to spectral functions, momentum-space spectra via the tensor-network quantum Fourier transform, real-space topological invariants, real-time dynamics, correlation induced symmetry breaking with self-consistent mean-field calculations, non-Hermitian phenomena, and excitonic many-body physics. Our methodology enables routinely solving systems with billions of sites, by leveraging the tensor network compressibility of real-space structures, and establishing a flexible framework to study quantum matter at ultra-large length scales. The methodology is implemented in the open-source Julia package TensorBinding.
Quantum algorithms provide a potential strategy for solving computational problems that are intractable by classical means. Computing the topological invariants of topological matter is one central problem in research on quantum materials, and a variety of numerical approaches for this purpose have been developed. However, the complexity of quantum many-body Hamiltonians makes calculations of topological invariants challenging for interacting systems. Here, we present two quantum circuits for calculating Chern numbers of two-dimensional quantum matter on quantum computers. Both circuits combine a gate-based adiabatic time evolution over the discretized Brillouin zone with particular phase estimation techniques. The first algorithm uses many qubits, and we analyze it using a tensor-network simulator of quantum circuits. The second circuit uses fewer qubits, and we implement it experimentally on a quantum computer based on superconducting qubits. Our results establish a method for computing topological invariants with quantum circuits, taking a step towards characterizing interacting topological quantum matter using quantum computers. Published by the American Physical Society 2024
Strongly correlated systems exhibit phenomena -- such as high-T_c superconductivity or the fractional quantum Hall effect -- that are not explicable by classical and semi-classical methods. Moreover, due to the exponential scaling of the associated Hilbert space, solving the proposed model Hamiltonians by brute-force numerical methods is bound to fail. Thus, it is important to develop novel numerical and analytical methods that can explain the physics in this regime. Tensor Network states are quantum many-body states that help to overcome some of these difficulties by defining a family of states that depend only on a small number of parameters. Their use is twofold: they are used as variational ansatzes in numerical algorithms as well as providing a framework to represent a large class of exactly solvable models that are believed to represent all possible phases of matter. The present thesis investigates mathematical properties of these states thus deepening the understanding of how and why Tensor Networks are suitable for the description of quantum many-body systems. It is believed that tensor networks can represent ground states of local Hamiltonians, but how good is this representation? This question is of fundamental importance as variational algorithms based on tensor networks can only perform well if any ground state can be approximated efficiently in such a way. While any state can be written as a tensor network state, the number of parameters needed for the description might be too large. This is not the case for one-dimensional systems: only a few parameters are required to have a good approximation of their ground states; that, in turn, allows for numerical algorithms based on tensor networks performing well. The situation in two dimensions is somewhat more complicated, but it is known that ground states of local Hamiltonians can be expressed as tensor networks with sub-exponentially many parameters. In the present thesis, we improve on these existing bounds strengthening the claim that the language of tensor networks is suitable to describe many-body systems. Another central question is how symmetries of the system such as translational invariance, time-reversal symmetry or local unitary symmetry can be reflected in tensor networks. This question is important as systems appearing in nature might intrinsically possess certain symmetries; on one hand, understanding these symmetries simplifies the description of these systems. On the other hand, the presence of symmetries leads to the appearance of novel phases -- symmetry-protected topological (SPT) order, -- and tensor networks provide the right language to classify these phases. In one dimension and for certain classes of two-dimensional tensor networks (states generated by so-called injective tensors) it is well understood how symmetries of the state can be described. A general framework, however, has yet to be developed. In the present thesis, we contribute to the development of the theory in two ways. We first investigate the question for injective tensors, and generalize the existing proof for any geometry including the hyperbolic geometry used in the AdS/CFT correspondence. Second, we introduce a class of tensor network states that include previously known examples of states exhibiting SPT order. We show how symmetries are reflected in these states thus deepening the understanding of SPT order in two dimensions.