Related papers: Quantum algorithm for a chemical reaction path opt…
This document is a pdf version of the series of blogposts about variational quantum algorithms (VQA) I originally posted on my blog Musty Thoughts. It provides an explanation of the basic variational algorithms, such as Variational Quantum…
The variational quantum eigensolver (VQE), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…
Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…
In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…
The promise of quantum computing to address complex problems requiring high computational resources has long been hindered by the intrinsic and demanding requirements of quantum hardware development. Nonetheless, the current state of…
Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…
We propose a quantum algorithm for computing one quasi-particle excitation energies in the thermodynamic limit by combining numerical linked-cluster expansions (NLCEs) and the variational quantum eigensolver (VQE). Our approach uses VQE to…
Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…
Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a…
Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
We provide a simple framework for the synthesis of quantum circuits based on a numerical optimization algorithm. This algorithm is used in the context of the trapped-ions technology. We derive theoretical lower bounds for the number of…
Quantum computers have the potential to deliver speed-ups for solving certain important problems that are intractable for classical counterparts, making them a promising avenue for advancing modern computation. However, many quantum…
The variational quantum eigensolver is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to…
Calculations of molecular spectral properties, like photodissociation rates and absorption bands, rely on knowledge of the excited state energies of the molecule of interest. Protocols based on the variational quantum eigensolver (VQE) are…
Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation…
QAOA is a hybrid quantum-classical algorithm to solve optimization problems in gate-based quantum computers. It is based on a variational quantum circuit that can be interpreted as a discretization of the annealing process that quantum…