Related papers: Quantum-Classical Hybrid Algorithm for the Simulat…
It is exponentially hard to simulate quantum systems by classical algorithms, while quantum computer could in principle solve this problem polynomially. We demonstrate such an quantum-simulation algorithm on our NMR system to simulate an…
We study continuous variable systems, in which quantum and classical degrees of freedom are combined and treated on the same footing. Thus all systems, including the inputs or outputs to a channel, may be quantum-classical hybrids. This…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
The accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…
Optimizing recessed-gate AlGaN/GaN MIS-HEMTs requires accurate multi-characteristic models, but experimental semiconductor datasets remain costly and encode process-induced variability that simulations cannot faithfully reproduce. This work…
The analysis of correlation energy of the simplest first approximation of a variational method for the intrashell states of two-electron atoms is the purpose of the present work. This method allows to divide energy of atom on Coulomb and…
We investigate quantum inspired algorithms to compute physical observables of quantum many-body systems at finite energies. They are based on the quantum algorithms proposed in [Lu et al. PRX Quantum 2, 020321 (2021)], which use the quantum…
Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome…
We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one…
Solving linear systems is of great importance in numerous fields. Proposed quantum algorithms for preparing solutions for linear systems include the HHL algorithm with subsequent refinements and variational methods. Circulant linear systems…
A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of…
Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…
We obtain sufficient conditions for the efficient simulation of a continuous variable quantum algorithm or process on a classical computer. The resulting theorem is an extension of the Gottesman-Knill theorem to continuous variable quantum…
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…
Quantum computing is gaining increased attention as a potential way to speed up simulations of physical systems, and it is also of interest to apply it to simulations of classical plasmas. However, quantum information science is…
Conical intersections (CIs) are pivotal in many photochemical processes. Traditional quantum chemistry methods, such as the state-average multi-configurational methods, face computational hurdles in solving the electronic Schr\"odinger…
Modern cyberattacks are increasingly complex, posing significant challenges to classical machine learning methods, particularly when labeled data is limited and feature interactions are highly non-linear. In this study we investigates the…
The purpose of this paper is to explore the applications of quantum computing to energy systems optimization problems and discuss some of the challenges faced by quantum computers with techniques to overcome them. The basic concepts…
This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…
Quantum systems have entered a competitive regime where classical computers must make approximations to represent highly entangled quantum states. However, in this beyond-classically-exact regime, fidelity comparisons between quantum and…