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The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to…

Quantum Physics · Physics 2019-03-06 Alexander McCaskey , Eugene Dumitrescu , Mengsu Chen , Dmitry Lyakh , Travis S. Humble

Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…

Chemical Physics · Physics 2023-09-25 Zeno Schätzle , Bernát Szabó , Matĕj Mezera , Jan Hermann , Frank Noé

We introduce two kinds of quantum algorithms to explore microcanonical and canonical properties of many-body systems. The first one is a hybrid quantum algorithm that, given an efficiently preparable state, computes expectation values in a…

Quantum Physics · Physics 2021-05-19 Sirui Lu , Mari Carmen Bañuls , J. Ignacio Cirac

Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further understanding of essential features in such systems. Quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2019-03-28 Zi-Xiang Li , Hong Yao

In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the…

Quantum Physics · Physics 2022-12-13 Dheeraj Peddireddy , Vipul Bansal , Vaneet Aggarwal

Monte Carlo methods play a central role in particle physics, where they are indispensable for simulating scattering processes, modeling detector responses, and performing multi-dimensional integrals. However, traditional Monte Carlo methods…

Quantum Physics · Physics 2025-10-14 Heechan Yi , Kayoung Ban , Myeonghun Park , Kyoungchul Kong

Running quantum algorithms often involves implementing complex quantum circuits with such a large number of multi-qubit gates that the challenge of tackling practical applications appears daunting. To date, no experiments have successfully…

Deep learning has deeply changed the paradigms of many research fields. At the heart of chemical and physical sciences is the accurate ab initio calculation of many-body wavefunction, which has become one of the most notable examples to…

Chemical Physics · Physics 2025-04-01 Yubing Qian , Xiang Li , Zhe Li , Weiluo Ren , Ji Chen

We perform a comprehensive analysis of the quantum-enhanced Monte Carlo method [Nature, 619, 282-287 (2023)], aimed at identifying the optimal working point of the algorithm. We observe an optimal mixing Hamiltonian strength and analyze the…

Quantum Physics · Physics 2025-07-01 Johannes Christmann , Petr Ivashkov , Mattia Chiurco , Guglielmo Mazzola

Neural-network quantum states (NQS) employ artificial neural networks to encode many-body wave functions in second quantization through variational Monte Carlo (VMC). They have recently been applied to accurately describe electronic wave…

Chemical Physics · Physics 2023-11-27 Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Hao-En Li , Chang-su Cao , Dingshun Lv , Han-Shi Hu

This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…

Quantum Physics · Physics 2025-12-02 Jorge J. Martínez de Lejarza

Solving the electronic structure problem of molecules and solids to high accuracy is a major challenge in quantum chemistry and condensed matter physics. The rapid emergence and development of quantum computers offer a promising route to…

Quantum Physics · Physics 2025-07-01 Benchen Huang , Yi-Ting Chen , Brajesh Gupt , Martin Suchara , Anh Tran , Sam McArdle , Giulia Galli

Quantum reservoir computing (QRC) is a hardware-implementation-friendly quantum neural network scheme with minimal physical system requirements and a proven advantage over classical counterparts. We use an extension of the positive-P phase…

Quantum Physics · Physics 2026-03-19 S. Świerczewski , W. Verstraelen , P. Deuar , T. C. H. Liew , A. Opala , M. Matuszewski

Sampling from complicated probability distributions is a hard computational problem arising in many fields, including statistical physics, optimization, and machine learning. Quantum computers have recently been used to sample from…

Quantum computing (QC) has gained popularity due to its unique capabilities that are quite different from that of classical computers in terms of speed and methods of operations. This paper proposes hybrid models and methods that…

Quantum Physics · Physics 2019-11-12 Akshay Ajagekar , Travis Humble , Fengqi You

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 accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…

Quantum Physics · Physics 2024-10-15 Michael A. Jones , Harish J. Vallury , Lloyd C. L. Hollenberg

Using trial wavefunctions prepared on quantum devices to reduce the bias of auxiliary-field quantum Monte Carlo (QC-AFQMC) has established itself as a promising hybrid approach to the simulation of strongly correlated many body systems.…

Quantum Physics · Physics 2024-09-16 Matthew Kiser , Matthias Beuerle , Fedor Simkovic

We conduct experimental simulations of many body quantum systems using a \emph{hybrid} classical-quantum algorithm. In our setup, the wave function of the transverse field quantum Ising model is represented by a restricted Boltzmann…

Quantum Physics · Physics 2018-12-05 Bartłomiej Gardas , Marek M. Rams , Jacek Dziarmaga

We extend the recently introduced phaseless auxiliary-field quantum Monte Carlo (QMC) approach to any single-particle basis, and apply it to molecular systems with Gaussian basis sets. QMC methods in general scale favorably with system…

Computational Physics · Physics 2007-05-23 W. A. Al-Saidi , Shiwei Zhang , Henry Krakauer