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Calculating ground and excited states is an exciting prospect for near-term quantum computing applications, and accurate and efficient algorithms are needed to assess viable directions. We develop an excited state approach based on the…
The weighted subspace-search variational quantum eigensolver (SSVQE) is a prominent algorithm for calculating excited-state properties of molecular quantum systems. In this work, we elaborate on some of its fundamental features with the aim…
The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…
The number of measurements demanded by hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) is prohibitively high for many problems of practical value. For such problems, realizing quantum advantage will…
The accurate prediction and understanding of molecular energy and chemical reactivity are fundamental pursuits in the field of molecular quantum chemistry. With the limitations of the current noisy intermediate scale quantum computer (NISQ)…
Variational quantum eigensolver (VQE) emerged as a first practical algorithm for near-term quantum computers. Its success largely relies on the chosen variational ansatz, corresponding to a quantum circuit that prepares an approximate…
Variational algorithms are promising candidates to be implemented on near-term quantum computers. The variational quantum eigensolver (VQE) is a prominent example, where a parametrized trial state of the quantum mechanical wave function is…
We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…
Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic…
The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the…
Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum chemistry context, range amongst the most promising candidate systems for which quantum computing platforms could provide an advantage. Near-term…
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes…
The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin…
Quantum spin systems may offer the first opportunities for beyond-classical quantum computations of scientific interest. While general quantum simulation algorithms likely require error-corrected qubits, there may be applications of…
This paper explores the potential contribution of quantum computing, specifically the Variational Quantum Eigensolver (VQE), into atmospheric physics research and application problems using as an example the Lorenz system, a paradigm of…
Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…
Variational quantum eigensolvers (VQEs) are a promising class of quantum algorithms for preparing approximate ground states in near-term quantum devices. Minimizing the error in such an approximation requires designing ansatzes using…
We present and benchmark a type of variational quantum eigensolver (VQE), which we denote $\sigma$-VQE. It is designed to target mid-spectrum eigenstates and prepare quantum many-body scar states. The approach leverages the fact that noisy…
The accurate calculation of electronic potential energy surfaces for ground and excited states is crucial for understanding photochemical processes, particularly near conical intersections. While classical methods are limited by scaling and…
We propose the unitary variational quantum-neural hybrid eigensolver (U-VQNHE), which improves upon the original VQNHE by enforcing unitary neural transformations. The non-unitary nature of VQNHE causes normalization issues and divergence…