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A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…
The problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $\epsilon$, QPE…
In this work, we compare three qubit-mapping strategies to study the structure of the nuclear ground state within the shell model description employing the Variational Quantum Eigensolver (VQE) approach. Although the initial point for…
When does a variational quantum algorithm converge to a globally optimal solution? Despite the large literature around variational approaches to quantum computing, the answer is largely unknown. We address this open question by developing a…
We propose a quantum algorithm, inspired by ADAPT-VQE, to variationally prepare the ground state of a quantum Hamiltonian, with the desirable property that if it fails to find the ground state, it still yields a physically meaningful…
This paper introduces the use of tailored variational forms for variational quantum eigensolver that have properties of representing certain constraints on the search domain of a linear constrained quadratic binary optimization problem…
One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct…
Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…
The analysis of symmetry in quantum systems is of utmost theoretical importance, useful in a variety of applications and experimental settings, and is difficult to accomplish in general. Symmetries imply conservation laws, which partition…
Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…
Variational quantum-classical hybrid algorithms are seen as a promising strategy for solving practical problems on quantum computers in the near term. While this approach reduces the number of qubits and operations required from the quantum…
By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…
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…
Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large…
In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian.…
In this work, we introduce several technical and analytical extensions to our recent state-averaged orbital-optimized variational quantum eigensolver (SA-OO-VQE) algorithm (see Ref. [S. Yalouz et al. ,Quantum Sci. Technol. 6, 024004…
The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…
Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based…
In this work, we explore a new approach to designing both algorithms and error detection codes for preparing approximate ground states of molecules. We propose a classical algorithm to find the optimal stabilizer state by using excitations…
We investigate the relationship between the energy spectrum of a local Hamiltonian and the geometric properties of its ground state. By generalizing a standard framework from the analysis of Markov chains to arbitrary (non-stoquastic)…