Related papers: Enhancing VQE Convergence for Optimization Problem…
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
The design of a good algorithm to solve NP-hard combinatorial approximation problems requires specific domain knowledge about the problems and often needs a trial-and-error problem solving approach. Graph coloring is one of the essential…
We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…
Variational quantum algorithms (VQAs) have established themselves as a central computational paradigm in the Noisy Intermediate-Scale Quantum (NISQ) era. By coupling parameterized quantum circuits (PQCs) with classical optimization, they…
Quantum algorithms based on parameterized quantum circuits (PQCs) have enabled a wide range of applications on near-term quantum devices. However, existing PQC architectures face several challenges, among which the ``barren plateaus"…
The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…
Variational quantum eigensolvers (VQEs) are leading candidates to demonstrate near-term quantum advantage. Here, we conduct density-matrix simulations of leading gate-based VQEs for a range of molecules. We numerically quantify their level…
The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become…
Evaluating the expectation of a quantum circuit is a classically difficult problem known as the quantum mean value problem (QMV). It is used to optimize the quantum approximate optimization algorithm and other variational quantum…
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…
Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain…
The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual…
The variational quantum eigensolver (VQE) is a leading strategy that exploits noisy intermediate-scale quantum (NISQ) machines to tackle chemical problems outperforming classical approaches. To gain such computational advantages on…
The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to…
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…
Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has…
Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…
Quantum approximate optimization algorithm (QAOA) is one of the popular quantum algorithms that are used to solve combinatorial optimization problems via approximations. QAOA is able to be evaluated on both physical and virtual quantum…
Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…