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Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in…

Quantum Physics · Physics 2025-09-26 R. Au-Yeung , B. Camino , O. Rathore , V. Kendon

We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo…

Computational Physics · Physics 2025-12-24 R. J. Needs , M. D. Towler , N. D. Drummond , P. Lopez Rios , J. R. Trail

Quantum computing is the process of performing calculations using quantum mechanics. This field studies the quantum behavior of certain subatomic particles for subsequent use in performing calculations, as well as for large-scale…

Quantum Physics · Physics 2023-12-07 David Peral García , Juan Cruz-Benito , Francisco José García-Peñalvo

Quantum computers use the quantum interference of different computational paths to enhance correct outcomes and suppress erroneous outcomes of computations. A common pattern underpinning quantum algorithms can be identified when quantum…

Quantum Physics · Physics 2009-10-30 Richard Cleve , Artur Ekert , Chiara Macchiavello , Michele Mosca

Classical machine learning theory and theory of quantum computations are among of the most rapidly developing scientific areas in our days. In recent years, researchers investigated if quantum computing can help to improve classical machine…

Quantum Physics · Physics 2019-06-26 D. V. Fastovets , Yu. I. Bogdanov , B. I. Bantysh , V. F. Lukichev

Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…

Computation · Statistics 2022-04-05 Anna Lopatnikova , Minh-Ngoc Tran , Scott A. Sisson

Quantum Tunneling is ubiquitous across different fields, from quantum chemical reactions, and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for…

Quantum Physics · Physics 2017-10-17 Guglielmo Mazzola , Vadim N. Smelyanskiy , Matthias Troyer

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…

Quantum Physics · Physics 2010-11-17 Katherine L Brown , William J Munro , Vivien M Kendon

Machine Learning algorithms are extensively used in an increasing number of systems, applications, technologies, and products, both in industry and in society as a whole. They enable computing devices to learn from previous experience and…

Quantum Physics · Physics 2025-02-17 Lucas Lamata

Quantum computing is rapidly emerging as a promising technology for solving complex optimization problems that arise in various engineering fields. Therefore, it holds significant promise to transform the computational foundations of power…

Quantum Physics · Physics 2026-01-06 Nikolaos G. Paterakis , Petros Karamanakos , Corey O'Meara , Georgios Papafotiou

Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and…

Quantum Physics · Physics 2018-05-10 Stuart Hadfield

This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave functions and are capable of achieving very high accuracy. The…

Materials Science · Physics 2010-02-11 R. J. Needs , M. D. Towler , N. D. Drummond , P. Lopez Rios

Quantum computers have attracted much attention in recent years. This is because the development of the actual quantum machine is accelerating. Research on how to use quantum computers is active in the fields such as quantum chemistry and…

Quantum Physics · Physics 2024-12-02 Kazumasa Ueno , Hiroaki Miura

Here we will give a perspective on new possible interplays between Machine Learning and Quantum Physics, including also practical cases and applications. We will explore the ways in which machine learning could benefit from new quantum…

Quantum Physics · Physics 2021-08-24 Lorenzo Buffoni , Filippo Caruso

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a novel…

Statistical Mechanics · Physics 2017-12-27 Tameem Albash , Gene Wagenbreth , Itay Hen

We present an implementation of Quantum Computing for a Markov Chain Monte Carlo method with an application to cosmological functions, to derive posterior distributions from cosmological probes. The algorithm proposes new steps in the…

Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…

Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…

In this study, we give an extension of Montanaro's arXiv/archive:1504.06987 quantum Monte Carlo method, tailored for computing expected values of random variables that exhibit infinite variance. This addresses a challenge in analyzing…

Quantum Physics · Physics 2024-03-08 Jose Blanchet , Mario Szegedy , Guanyang Wang