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Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…

Quantum Physics · Physics 2025-11-18 Choy Boy , Edoardo Altamura , Dilhan Manawadu , Ivano Tavernelli , Stefano Mensa , David J. Wales

Virtually all aspects of many-body atomic physics are challenging: experiments are technically demanding, datasets have become enormous, and the memory and CPU requirements for classical simulation of generic quantum systems often scale…

Quantum Gases · Physics 2026-05-19 I. B. Spielman amd J. P. Zwolak

Partial differential equations frequently appear in the natural sciences and related disciplines. Solving them is often challenging, particularly in high dimensions, due to the "curse of dimensionality". In this work, we explore the…

Quantum Physics · Physics 2023-05-30 Lukas Mouton , Florentin Reiter , Ying Chen , Patrick Rebentrost

Major obstacles remain to the implementation of macroscopic quantum computing: hardware problems of noise, decoherence, and scaling; software problems of error correction; and, most important, algorithm construction. Finding truly quantum…

Quantum Physics · Physics 2020-07-17 Nathan Thompson , James Steck , Elizabeth Behrman

Quantum machine learning (QML) is a rapidly growing field that combines quantum computing principles with traditional machine learning. It seeks to revolutionize machine learning by harnessing the unique capabilities of quantum mechanics…

Quantum Physics · Physics 2024-11-15 Jun Qi , Chao-Han Yang , Samuel Yen-Chi Chen , Pin-Yu Chen

Quantum machine learning aims to release the prowess of quantum computing to improve machine learning methods. By combining quantum computing methods with classical neural network techniques we aim to foster an increase of performance in…

High Energy Physics - Phenomenology · Physics 2021-03-17 Andrew Blance , Michael Spannowsky

While historically many quantum mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a lot of interest has arisen towards quantum effects in…

Quantum Physics · Physics 2018-06-06 Simone Sturniolo

Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demonstrations of quantum computation to date have focused on…

Chemical Physics · Physics 2026-05-13 Alan Bidart , Prateek Vaish , Tilas Kabengele , Yaoqi Pang , Yuan Liu , Brenda M. Rubenstein

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

Quantum machine learning algorithms are expected to play a pivotal role in quantum chemistry simulations in the immediate future. One such key application is the training of a quantum neural network to learn the potential energy surface and…

Quantum Physics · Physics 2024-09-04 Gabriele Lo Monaco , Marco Bertini , Salvatore Lorenzo , G. Massimo Palma

Matrix quantum mechanics plays various important roles in theoretical physics, such as a holographic description of quantum black holes. Understanding quantum black holes and the role of entanglement in a holographic setup is of paramount…

Machine learning has been used in high energy physics for a long time, primarily at the analysis level with supervised classification. Quantum computing was postulated in the early 1980s as way to perform computations that would not be…

Entanglement calculations in quantum field theories are extremely challenging and typically rely on the replica trick, where the problem is rephrased in a study of defects. We demonstrate that the use of deep generative models drastically…

High Energy Physics - Lattice · Physics 2025-12-15 Andrea Bulgarelli , Elia Cellini , Karl Jansen , Stefan Kühn , Alessandro Nada , Shinichi Nakajima , Kim A. Nicoli , Marco Panero

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Numerical approaches to the correlated electron problem have achieved considerable success, yet are still constrained by several bottlenecks, including high order polynomial or exponential scaling in system size, long autocorrelation times,…

Strongly Correlated Electrons · Physics 2022-12-14 S. Johnston , E. Khatami , R. T. Scalettar

Computer simulation methods, such as Monte Carlo or Molecular Dynamics, are very powerful computational techniques that provide detailed and essentially exact information on classical many-body problems. With the advent of ab-initio…

Chemical Physics · Physics 2014-06-23 Thomas D. Kühne

Disorder in condensed matter and atomic physics is responsible for a great variety of fascinating quantum phenomena, which are still challenging for understanding, not to mention the relevant dynamical control. Here we introduce proof of…

Disordered Systems and Neural Networks · Physics 2022-03-01 Tang-You Huang , Yue Ban , E. Ya. Sherman , Xi Chen

Machine learning is a fascinating and exciting field within computer science. Recently, this excitement has been transferred to the quantum information realm. Currently, all proposals for the quantum version of machine learning utilize the…

Quantum Physics · Physics 2017-02-28 Hoi-Kwan Lau , Raphael Pooser , George Siopsis , Christian Weedbrook

Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds…

Quantum Physics · Physics 2025-01-22 Gyungmin Cho , Dohun Kim

This article gives an overview and a perspective of recent theoretical proposals and their experimental implementations in the field of quantum machine learning. Without an aim to being exhaustive, the article reviews specific high-impact…

Quantum Physics · Physics 2023-05-03 Lucas Lamata