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At the intersection of machine learning and quantum computing, Quantum Machine Learning (QML) has the potential of accelerating data analysis, especially for quantum data, with applications for quantum materials, biochemistry, and…

Quantum Physics · Physics 2023-03-17 M. Cerezo , Guillaume Verdon , Hsin-Yuan Huang , Lukasz Cincio , Patrick J. Coles

Finding eigenstates of a given many-body Hamiltonian is a long-standing challenge due to the perceived computational complexity. Leveraging on the hardware of a quantum computer accommodating the exponential growth of the Hilbert space size…

Quantum Physics · Physics 2026-05-05 Nannan Ma , Heng Dai , Jiangbin Gong

Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For…

Quantum Physics · Physics 2025-02-11 Alexander Gresch , Martin Kliesch

The intensive pursuit for quantum advantage in terms of computational complexity has further led to a modernized crucial question: {\it When and how will quantum computers outperform classical computers?} The next milestone is undoubtedly…

Quantum Physics · Physics 2024-05-07 Nobuyuki Yoshioka , Tsuyoshi Okubo , Yasunari Suzuki , Yuki Koizumi , Wataru Mizukami

We outline the general framework of machine learning (ML) methods for multi-scale dynamical modeling of condensed matter systems, and in particular of strongly correlated electron models. Complex spatial temporal behaviors in these systems…

Strongly Correlated Electrons · Physics 2022-01-06 Puhan Zhang , Sheng Zhang , Gia-Wei Chern

Determining the energy gap in a quantum many-body system is critical to understanding its behavior and is important in quantum chemistry and condensed matter physics. The challenge of determining the energy gap requires identifying both the…

Quantum Physics · Physics 2026-03-04 Mengzhen Ren , Yu-Cheng Chen , Ching-Jui Lai , Min-Hsiu Hsieh , Alice Hu

Characterizing quantum many-body systems is a fundamental problem across physics, chemistry, and materials science. While significant progress has been made, many existing Hamiltonian learning protocols demand digital quantum control over…

Quantum Physics · Physics 2025-10-10 Sitan Chen , Jordan Cotler , Hsin-Yuan Huang

In recent years, advanced deep neural networks have required a large number of parameters for training. Therefore, finding a method to reduce the number of parameters has become crucial for achieving efficient training. This work proposes a…

Machine learning (ML) methods such as artificial neural networks are rapidly becoming ubiquitous in modern science, technology and industry. Despite their accuracy and sophistication, neural networks can be easily fooled by carefully…

Hybrid Quantum-Classical Machine Learning (ML) is an emerging field, amalgamating the strengths of both classical neural networks and quantum variational circuits on the current noisy intermediate-scale quantum devices. This paper performs…

Nanoscale engineered spin systems, ranging from spins on surfaces to nanographenes, provide flexible platforms to realize entangled quantum magnets from a bottom up approach. However, assessing the quantum many-body Hamiltonian realized in…

Mesoscale and Nanoscale Physics · Physics 2025-10-22 Netta Karjalainen , Greta Lupi , Rouven Koch , Adolfo O. Fumega , Jose L. Lado

The meteoric rise of artificial intelligence in recent years has seen machine learning methods become ubiquitous in modern science, technology, and industry. Concurrently, the emergence of programmable quantum computers, coupled with the…

Quantum Physics · Physics 2025-06-17 Muhammad Usman

In this article we demonstrate the applications of classical and quantum machine learning in quantum transport and spintronics. With the help of a two-terminal device with magnetic impurity we show how machine learning algorithms can…

Mesoscale and Nanoscale Physics · Physics 2023-03-28 Kumar Ghosh , Sumit Ghosh

Quantum machine learning (QML) presents potential for early industrial adoption, yet limited access to quantum hardware remains a significant bottleneck for deployment of QML solutions. This work explores the use of classical surrogates to…

Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power…

Quantum machine learning (QML) is rapidly transitioning from theoretical promise to practical relevance across data-intensive scientific domains. In this Review, we provide a structured overview of recent advances that bridge foundational…

Quantum Physics · Physics 2026-02-25 Vinit Singh , Amandeep Singh Bhatia , Mandeep Kaur Saggi , Manas Sajjan , Sabre Kais

Classical molecular dynamics (MD) simulations will be able to reach sampling in the second timescale within five years, producing petabytes of simulation data at current force field accuracy. Notwithstanding this, MD will still be in the…

Biomolecules · Quantitative Biology 2018-10-24 Adrià Pérez , Gerard Martínez-Rosell , Gianni De Fabritiis

First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Chemical Physics · Physics 2020-08-18 Bing Huang , O. Anatole von Lilienfeld

With the evolution of numerical methods, we are now aiming at not only qualitative understanding but also quantitative prediction and design of quantum many-body phenomena. As a novel numerical approach, machine learning techniques have…

Strongly Correlated Electrons · Physics 2024-12-20 Yusuke Nomura , Masatoshi Imada

Quantum algorithms exploiting real-time evolution under a target Hamiltonian have demonstrated remarkable efficiency in extracting key spectral information. However, the broader potential of these methods, particularly beyond ground state…

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