Related papers: Efficient step-merged quantum imaginary time evolu…
While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…
The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…
Extracting energy spectra from quantum Hamiltonians is a fundamental task for quantum simulation, yet remains challenging on noisy intermediate-scale quantum (NISQ) devices. We propose Measured Quantum Time Evolution (MQTE), an ancilla-free…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…
Quantum imaginary time evolution (QITE) algorithm is one of the most promising variational quantum algorithms (VQAs), bridging the current era of Noisy Intermediate-Scale Quantum devices and the future of fully fault-tolerant quantum…
The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the required circuit depth -- the number of applied…
Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…
Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…
Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…
The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…
The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…
We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…
Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained…
The variational quantum eigensolver (VQE) is one of the most representative quantum algorithms in the noisy intermediate-size quantum (NISQ) era, and is generally speculated to deliver one of the first quantum advantages for the…
The imaginary-time evolution method is widely known to be efficient for obtaining the ground state in quantum many-body problems on a classical computer. A recently proposed quantum imaginary-time evolution method (QITE) faces problems of…
The quantum imaginary time evolution (QITE) algorithm is a direct implementation of the classical imaginary time evolution algorithm on quantum computer. We implement the QITE algorithm for the case of nuclear Hartree-Fock equations in a…
A fast implementation of the quantum imaginary time evolution (QITE) algorithm called Fast QITE is proposed. The algorithmic cost of QITE typically scales exponentially with the number of particles it nontrivially acts on in each Trotter…
The Schwinger model serves as a benchmark for testing non-perturbative algorithms in quantum chromodynamics (QCD), emphasizing its similarities to QCD in strong coupling regimes, primarily due to the phenomena such as confinement and charge…