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Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

Quantum computing has the potential to revolutionize computing for certain classes of problems with exponential scaling, and yet this potential is accompanied by significant sensitivity to noise, requiring sophisticated error correction and…

Quantum Physics · Physics 2022-02-11 Scott E. Smart , Zixuan Hu , Sabre Kais , David A. Mazziotti

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

Statistical Mechanics · Physics 2022-06-07 Erki Metsanurk

Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

Unwanted interaction between a quantum system and its fluctuating environment leads to decoherence and is the primary obstacle to establishing a scalable quantum information processing architecture. Strategies such as environmental and…

Variational quantum dynamics simulations (VQDS) provide a promising route to simulate real- and imaginary-time quantum dynamics on noisy intermediate-scale quantum devices using fixed-depth circuits. However, their practical performance is…

Quantum Physics · Physics 2026-05-21 Feng Zhang , Niladri Gomes , Joshua Aftergood , Thomas Iadecola , Yong-Xin Yao , Peter P. Orth

We develop a quantum algorithm for estimating the free energy as well as the total Gibbs state of interacting quantum Coulomb gases and molecular systems in dimensions $d \in \{2,3\}$ at finite temperature. These systems lie beyond the…

Quantum Physics · Physics 2026-04-17 Simon Becker , Cambyse Rouzé , Robert Salzmann

The problem of sampling outputs of quantum circuits has been proposed as a candidate for demonstrating a quantum computational advantage (sometimes referred to as quantum "supremacy"). In this work, we investigate whether quantum advantage…

Quantum Physics · Physics 2021-06-09 Leonardo Novo , Juani Bermejo-Vega , Raúl García-Patrón

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

We initiate the systematic study of experimental quantum physics from the perspective of computational complexity. To this end, we define the framework of quantum algorithmic measurements (QUALMs), a hybrid of black box quantum algorithms…

Quantum Physics · Physics 2022-03-09 Dorit Aharonov , Jordan Cotler , Xiao-Liang Qi

We examine theoretic architectures and an abstract model for a restricted class of quantum computation, called here instantaneous quantum computation because it allows for essentially no temporal structure within the quantum dynamics. Using…

Quantum Physics · Physics 2010-10-21 Dan Shepherd , Michael J. Bremner

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

Nuclear Theory · Physics 2026-01-28 Dhritimalya Roy , Somnath Nag

Ising spin Hamiltonians are often used to encode a computational problem in their ground states. Quantum Annealing (QA) computing searches for such a state by implementing a slow time-dependent evolution from an easy-to-prepare initial…

Quantum Physics · Physics 2022-05-02 Bin Yan , Nikolai A. Sinitsyn

We find the ground-state energy of the Ising model using the Cascaded Variational Quantum Eigensolver (CVQE) algorithm with the Guided-Sampling Ansatz (GSA) using up to 63 qubits on a quantum computer. We study a heavy-hex lattice to match…

Quantum Physics · Physics 2026-04-29 John P. T. Stenger , C. Stephen Hellberg , Daniel Gunlycke

Standard approaches to quantum statistical inference rely on measurements that induce a collapse of the wave function, effectively consuming the quantum state to extract information. In this work, we investigate the fundamental limits of…

Quantum Physics · Physics 2026-02-20 Cristina Butucea , Jan Johannes , Henning Stein

Iterative phase estimation has long been used in quantum computing to estimate Hamiltonian eigenvalues. This is done by applying many repetitions of the same fundamental simulation circuit to an initial state, and using statistical…

Quantum Physics · Physics 2019-07-25 Ian D. Kivlichan , Christopher E. Granade , Nathan Wiebe

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

Variational quantum eigensolver(VQE) typically minimizes energy with hybrid quantum-classical optimization, which aims to find the ground state. Here, we propose a VQE by minimizing energy variance, which is called as variance-VQE(VVQE).…

Quantum Physics · Physics 2020-06-30 Dan-Bo Zhang , Zhan-Hao Yuan , Tao Yin

A major motivation for building a quantum computer is that it provides a tool to efficiently simulate strongly correlated quantum systems. In this work, we present a detailed roadmap on how to simulate a two-dimensional electron…

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…