Related papers: Practical Quantum Computation of Chemical and Nucl…
Quantum computing offers a potential for algorithmic speedups for applications, such as large-scale simulations in chemistry and physics. However, these speedups must yield results that are sufficiently accurate to predict realistic…
Dynamic quantum circuits combine mid-circuit measurement with classical feed-forward, enabling circuit constructions with reduced entangling-gate depth. Here, we investigate their use in Quantum Imaginary Time Evolution (QITE), where…
Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…
Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally…
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…
Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…
Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree-Fock and density functional theory, but offer higher accuracy. Accordingly, quantum computers have been…
Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demonstrations of quantum computation to date have focused on…
We propose an algorithm for computing real-time observables using a quantum processor while avoiding the need to prepare the full quantum state. This reduction in quantum resources is achieved by classically sampling configurations in…
Imaginary time evolution is a powerful technique for computing the ground state of quantum Hamiltonians, where the convergence to ground state in asymptotic imaginary time is guaranteed. However, implementing this method on quantum…
This work introduces a method for determining the energy spectrum of lattice quantum chromodynamics (LQCD) by applying the Lanczos algorithm to the transfer matrix and using a bootstrap generalization of the Cullum-Willoughby method to…
We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an…
Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…
We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extremal eigenvalues of Hamiltonians. While the classical Lanczos…
Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…
We present a quantum information-inspired ansatz for the variational quantum eigensolver (VQE) and demonstrate its efficacy in calculating ground-state energies of atomic systems. Instead of adopting a heuristic approach, we start with an…
In this manuscript, we calculate the ground state energy of benzene under spatial deformations by using the variational quantum eigensolver (VQE). The primary goal of the study is estimating the feasibility of using quantum computing…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum…