A new method is proposed for determining the ground state wave function of a quantum many-body system on a quantum computer, without requiring an initial trial wave function that has good overlap with the true ground state. The technique of Spectral Combing involves entangling an arbitrary initial wave function with a set of auxiliary qubits governed by a time dependent Hamiltonian, resonantly transferring energy out of the initial state through a plethora of avoided level crossings into the auxiliary system. The number of avoided level crossings grows exponentially with the number of qubits required to represent the Hamiltonian, so that the efficiency of the algorithm does not rely on any particular energy gap being large. We give an explicit construction of the quantum gates required for the realization of this procedure and explore the results of classical simulations of the algorithm on a small quantum computer with up to 8 qubits. We show that for certain systems and comparable results, Spectral Combing requires fewer quantum gates to realize than the Quantum Adiabatic Algorithm.
A new method is proposed for determining the ground state wave function of a quantum many-body system on a quantum computer, without requiring an initial trial wave function that has good overlap with the true ground state. The technique of Spectral Combing involves entangling an arbitrary initial wave function with a set of auxiliary qubits governed by a time dependent Hamiltonian, resonantly transferring energy out of the initial state through a plethora of avoided level crossings into the auxiliary system. The number of avoided level crossings grows exponentially with the number of qubits required to represent the Hamiltonian, so that the efficiency of the algorithm does not rely on any particular energy gap being large. We give an explicit construction of the quantum gates required for the realization of this procedure and explore the results of classical simulations of the algorithm on a small quantum computer with up to 8 qubits. We show that for certain systems and comparable results, Spectral Combing requires fewer quantum gates to realize than the Quantum Adiabatic Algorithm.
Developing efficient quantum computing algorithms is essential for tackling computationally challenging problems across various fields. This paper presents a novel quantum algorithm, XZ24, for efficiently computing the eigen-energy spectra of arbitrary quantum systems. Given a Hamiltonian H^ and an initial reference state ∣ψref⟩, the algorithm extracts information about ⟨ψref∣cos(H^t)∣ψref⟩ from an auxiliary qubit's state. By applying a Fourier transform, the algorithm resolves the energies of eigenstates of the Hamiltonian with significant overlap with the reference wavefunction. We provide a theoretical analysis and numerical simulations, showing XZ24's superior efficiency and accuracy compared to existing algorithms. XZ24 has three key advantages: 1. It removes the need for eigenstate preparation, requiring only a reference state with non-negligible overlap, improving upon methods like the Variational Quantum Eigensolver. 2. It reduces measurement overhead, measuring only one auxiliary qubit. For a system of size L with precision ε, the sampling complexity scales as O(L⋅ε−1). When relative precision ε is sufficient, the complexity scales as O(ε−1), making measurements independent of system size. 3. It enables simultaneous computation of multiple eigen-energies, depending on the reference state. We anticipate that XZ24 will advance quantum system simulations and enhance applications in quantum computing.
We propose a general-purpose quantum algorithm for preparing ground states of quantum Hamiltonians from a given trial state. The algorithm is based on techniques recently developed in the context of solving the quantum linear system problem. We show that, compared to algorithms based on phase estimation, the runtime of our algorithm is exponentially better as a function of the allowed error, and at least quadratically better as a function of the overlap with the trial state. We also show that our algorithm requires fewer ancilla qubits than existing algorithms, making it attractive for early applications of small quantum computers. Additionally, it can be used to determine an unknown ground energy faster than with phase estimation if a very high precision is required.
We present an efficient method to prepare states of a many-body system on quantum hardware, first isolating individual quantum numbers and then using time evolution to isolate the energy. Our method in its simplest form requires only one additional auxiliary qubit. The total time evolved for an accurate solution is proportional to the ratio of the spectrum range of the trial state to the gap to the lowest excited state, a substantial improvement over other projection algorithms, and the accuracy increases exponentially with the time evolved. Isolating the quantum numbers is efficient because of the known eigenvalues, and increases the gap thus shortening the propagation time required. The success rate of the algorithm, or the probability of producing the desired state, is a simple function of measurement times and phases and is dominated by the square overlap of the original state to the desired state. We present examples from the nuclear shell model and the Heisenberg model. We compare this algorithm to previous algorithms for short evolution times and discuss potential further improvements.
The accurate and efficient simulation of many body systems has been a long-standing challenge for quantum chemists and physicists. At the heart of this challenge lies the correlation between quantum particles, which is crucial in understanding various physical phenomena, but is numerically hard to calculate. Over the decades, there has been remarkable progress in simplifying this problem aided by mathematical and chemical approximations and the availability of powerful computers. However, an exact solution to the problem still remains intractable as it requires exponential re- sources with respect to the system size. Recent advances in the field of quantum computing have shown promise in Feynman’s idea of simulating quantum mechanics on quantum computers. It has been proposed that an ideal fault-tolerant quantum computer can reduce the scaling of these sim- ulations from exponential to polynomial. However, initial quantum algorithms have shown that there is a large gap between the capabilities of current hardware and the resources required for simulating quantum systems of interest. The work of this thesis focuses on reducing this gap by introducing two novel algorithms for quantum xiv chemistry simulations, which are suitable for near-term hardware. First, we intro- duce a hybrid algorithm to decrease the total number of operations required for the quantum simulations. We use a classical computer to generate an effective Hamilto- nian containing O(n2) terms compared to the O(n4) terms of the full Hamiltonian, where n is the number of orbitals. This sparse Hamiltonian can then be used with a high-level method to recover the ground state energies. We demonstrate that this sparsification of the Hamiltonian reduces the number of quantum operations required for the simulation by an order of magnitude, thus making it accessible for the near- term Hardware. Our second algorithm aims to make the calculation of dynamic correlation functions (Green’s functions) more feasible on these quantum machines. This algorithm is designed with the motive of avoiding the use of time-evolution and reduced use of two-qubit gates. We demonstrate that we can reproduce the Green’s function within reasonable error limits using this approach. We have also discussed the use of re-sampling techniques for proper error-propagation of the stochastic data obtained from the quantum machines. The general structure of this thesis is as follows. We begin by motivating this work in Chapter 1. Chapters 2 and 3 provide a general introduction of quantum computing and Green’s function based methods, respectively. In chapter 4, the development of effective Hamiltonian is discussed in detail. Chapter 5 demonstrates the use of these effective Hamiltonians on the quantum machine for time evolution. In chapter 6, we have discussed the algorithm to calculate Green’s functions on a quantum machine. This is followed by conclusions and future directions in Chapters 7 and 8, respectively.
Quantum computers represent a relatively new and promising development in computing technology. One of the applications of quantum computers is modelling quantum many-body systems, which describe interactions between particles on atomic and subatomic scales. Such systems are highly complex and challenging to model with classical computers due to the vast number of possible states and entanglement of the particles. In this dissertation, we examine the extent to which quantum computers can accelerate the modelling of quantum many-body systems compared to classical computers. Specifically, this dissertation presents research on adiabatic state preparation: a quantum algorithmic technique that uses the adiabatic principle from quantum mechanics to approximate eigenstates. We describe three new techniques that fall within this category and, in certain cases, offer advantages over standard methods. First, we consider cases of ground state preparation for fermionic many-body systems, where standard direct interpolation between the initial and final hamiltonian is hindered by level crossings due to discrete symmetries. As an alternative to direct interpolation, we propose adiabatic paths in a higher-dimensional space, which break the relevant symmetries. Next, we present an adiabatic echo verification protocol which mitigates both coherent and incoherent errors, arising from non-adiabatic transitions and hardware noise, respectively. We show that the estimator bias of the observable is reduced when compared to standard adiabatic preparation, achieving up to a quadratic improvement. Finally, we propose a general, fully gate-based and nonvariational quantum algorithm for counterdiabatic driving. We provide a rigorous quantum gate complexity upper bound in terms of the minimum gap Δ around this eigenstate. We find that, in the worst case, the algorithm can be run with at most O~(Δ−(3+o(1))ϵ−(1+o(1))) quantum gates such that a target state fidelity of at least 1−ϵ2 is achieved. In certain cases, the gap dependence can be improved to quadratic.
We develop a phase-estimation method with a distinct feature: its maximal run time (which determines the circuit depth) is δ/ , where is the target precision, and the preconstant δ can be arbitrarily close to 0 as the initial state approaches the target eigenstate.The total cost of the algorithm satisfies the Heisenberg-limited scaling O( -1 ).As a result, our algorithm may significantly reduce the circuit depth for performing phase-estimation tasks on early fault-tolerant quantum computers.The key technique is a simple subroutine called quantum complex exponential least squares (QCELS).Our algorithm can be readily applied to reduce the circuit depth for estimating the ground-state energy of a quantum Hamiltonian, when the overlap between the initial state and the ground state is large.If this initial overlap is small, we can combine our method with the Fourier-filtering method developed in [Lin and Tong, PRX Quantum 3, 010318, 2022], and the resulting algorithm provably reduces the circuit depth in the presence of a large relative overlap compared to .The relative-overlap condition is similar to a spectral-gap assumption but it is aware of the information in the initial state and is therefore applicable to certain Hamiltonians with small spectral gaps.We observe that the circuit depth can be reduced by around 2 orders of magnitude in numerical experiments under various settings.