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Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…

Arrays of optically trapped atoms excited to Rydberg states have recently emerged as a competitive physical platform for quantum simulation and computing, where high-fidelity state preparation and readout, quantum logic gates and controlled…

Quantum Physics · Physics 2021-05-19 M. Morgado , S. Whitlock

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

We discuss several algorithms for sampling from unnormalized probability distributions in statistical physics, but using the language of statistics and machine learning. We provide a self-contained introduction to some key ideas and…

Computation · Statistics 2025-05-05 Michael F. Faulkner , Samuel Livingstone

Identifying the real and imaginary parts of wave functions with coordinates and momenta, quantum evolution may be mapped onto a classical Hamiltonian system. In addition to the symplectic form, quantum mechanics also has a positive-definite…

Quantum Physics · Physics 2009-11-07 R. Vilela Mendes , V. I. Man'ko

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…

Quantum Physics · Physics 2020-03-03 Akshay Ajagekar , Fengqi You

We consider algebras underlying Hilbert spaces used by quantum information algorithms. We show how one can arrive at equations on such algebras which define n-dimensional Hilbert space subspaces which in turn can simulate quantum systems on…

Quantum Physics · Physics 2007-05-23 Mladen Pavicic

Quantum simulation has emerged as a key application of quantum computing, with significant progress made in algorithms for simulating both closed and open quantum systems. The simulation of open quantum systems, particularly those governed…

Quantum Physics · Physics 2026-04-15 Evan Borras , Milad Marvian

It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…

Strongly Correlated Electrons · Physics 2016-08-24 Lucas K. Wagner , David M. Ceperley

The application of near-term quantum devices to machine learning (ML) has attracted much attention. In one such attempt, Mitarai et al. (2018) proposed a framework to use a quantum circuit for supervised ML tasks, which is called quantum…

Quantum Physics · Physics 2021-12-14 Naoko Koide-Majima , Kei Majima

Major players in the global aerospace industry are shifting their focus toward achieving net carbon-neutral operations by 2050. A considerable portion of the overall carbon emission reduction is expected to come from new aircraft…

The future development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation and sensing. This poses severe challenges in the efficient…

Increasingly sophisticated programmable quantum simulators and quantum computers are opening unprecedented opportunities for exploring and exploiting the properties of highly entangled complex quantum systems. The complexity of large…

Near-term quantum processors are limited in terms of the number of qubits and gates they can afford. They nevertheless give unprecedented access to programmable quantum systems that can efficiently, although imperfectly, simulate quantum…

Strongly Correlated Electrons · Physics 2025-11-25 Thomas Ayral

Digital quantum simulation uses the capabilities of quantum computers to determine the dynamics of quantum systems, which are beyond the computability of modern classical computers. A notoriously challenging task in this field is the…

Quantum Physics · Physics 2021-04-19 Benedikt Fauseweh , Jian-Xin Zhu

An algorithm for quantum computing Hamiltonian cycles of simple, cubic, bipartite graphs is discussed. It is shown that it is possible to evolve a quantum computer into an entanglement of states which map onto the set of all possible paths…

Quantum Physics · Physics 2007-05-23 T. Rudolph

The basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely to efficiently perform computations in an intractably large Hilbert space. In this paper we explore some theoretical…

Quantum Physics · Physics 2019-02-06 Maria Schuld , Nathan Killoran

Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally…

Quantum Physics · Physics 2018-12-05 Raffaele Miceli , Michael McGuigan

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

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 Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans