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We propose a state-specific orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for the use on near-term quantum computers, which can be combined with any overlap-based…
With the fast development of quantum technology, the sizes of both digital and analog quantum systems increase drastically. In order to have better control and understanding of the quantum hardware, an important task is to characterize the…
Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…
A quantum state for being an eigenstate of some local Hamiltonian should be constraint by zero energy variance and consequently, the constraint is rather strong that a single eigenstate may uniquely determine the Hamiltonian. For…
We consider physical Hamiltonians that can be represented by the multiparametric Gaussian ensembles, theoretically derive the state ensembles for its eigenstates and analyze the effect of varying system conditions on its bipartite…
We derive out a complete series expression of Hamiltonian eigenvalues without any approximation and cut in the general quantum systems based on Wang's formal framework \cite{wang1}. In particular, we then propose a calculating approach of…
We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…
We propose a quantum algorithm to obtain the lowest eigenstate of any Hamiltonian simulated by a quantum computer. The proposed algorithm begins with an arbitrary initial state of the simulated system. A finite series of transforms is…
Estimating extensive combinations of local parameters in distributed quantum systems is a central problem in quantum sensing, with applications ranging from magnetometry to timekeeping. While optimal strategies are known for sensing…
We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…
Simulating Hamiltonian dynamics is one of the most fundamental and significant tasks for characterising quantum materials. Recently, a series of quantum algorithms employing block-encoding of Hamiltonians have succeeded in providing…
We discuss classical algorithms for approximating the largest eigenvalue of quantum spin and fermionic Hamiltonians based on semidefinite programming relaxation methods. First, we consider traceless $2$-local Hamiltonians $H$ describing a…
Under suitable assumptions, the algorithms in [Lin, Tong, Quantum 2020] can estimate the ground state energy and prepare the ground state of a quantum Hamiltonian with near-optimal query complexities. However, this is based on a block…
Hamiltonian learning is a cornerstone for advancing accurate many-body simulations, improving quantum device performance, and enabling quantum-enhanced sensing. Existing readily deployable quantum metrology techniques primarily focus on…
Given the Hamiltonian, the evaluation of unitary operators has been at the heart of many quantum algorithms. Motivated by existing deterministic and random methods, we present a hybrid approach, where Hamiltonians with large amplitude are…
Estimating the eigenvalues of non-normal matrices is a foundational problem with far-reaching implications, from modeling non-Hermitian quantum systems to analyzing complex fluid dynamics. Yet, this task remains beyond the reach of standard…
Engineering the Hamiltonian of a quantum system is fundamental to the design of quantum systems. Automating Hamiltonian design through gradient-based optimization can dramatically accelerate this process. However, computing the gradients of…
We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the…
We demonstrate a method to systematically obtain eigenvalues and eigenstates of a many-body Hamiltonian describing collective neutrino oscillations. The method is derived from the Richardson-Gaudin framework, which involves casting the…