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Measurement-based quantum computation (MQC) is a paradigm for studying quantum computation using many-body entanglement and single-qubit measurements. While MQC has inspired wide-ranging discoveries throughout quantum information, our…

Quantum Physics · Physics 2016-11-28 Jacob Miller , Akimasa Miyake

Quantum Monte Carlo (QMC) methods can very accurately compute ground state properties of quantum systems. We applied these methods to a system of boson hard spheres to get exact, infinite system size results for the ground state at several…

Computational Physics · Physics 2016-09-08 Mark Dewing

Modern graphics computing units (GPUs) are designed and optimized to perform highly parallel numerical calculations. This parallelism has enabled (and promises) significant advantages, both in terms of energy performance and calculation. In…

Hardware Architecture · Computer Science 2021-10-26 Quentin Gallouédec

Solving the quantum many-body Schr\"odinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum…

Computational Physics · Physics 2023-11-03 Kirill Neklyudov , Jannes Nys , Luca Thiede , Juan Carrasquilla , Qiang Liu , Max Welling , Alireza Makhzani

Quantum mechanics for many-body systems may be reduced to the evaluation of integrals in 3N dimensions using Monte-Carlo, providing the Quantum Monte Carlo ab initio methods. Here we limit ourselves to expectation values for trial…

Computational Physics · Physics 2010-11-22 John Robert Trail , Ryo Maezono

Quantum computing offers an alternative paradigm for addressing combinatorial optimization problems compared to classical computing. Despite recent hardware improvements, the execution of empirical quantum optimization experiments at scales…

Deep neural networks can represent very different sorts of functions, including complex quantum many-body states. Tensor networks can also represent these states, have more structure and are easier to optimize. However, they can be…

Strongly Correlated Electrons · Physics 2026-04-22 Miha Srdinšek , Xavier Waintal

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

Random samples of quantum states with specific properties are useful for various applications, such as Monte Carlo integration over the state space. In the high-dimensional situations that one encounters already for a few qubits, the…

Quantum Physics · Physics 2026-02-02 Weijun Li , Rui Han , Jiangwei Shang , Hui Khoon Ng , Berthold-Georg Englert

Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been limitedly applied to small systems due to demanding computation requirements. In this work, we introduce…

We present a variational Monte Carlo algorithm for estimating the lowest excited states of a quantum system which is a natural generalization of the estimation of ground states. The method has no free parameters and requires no explicit…

Computational Physics · Physics 2024-09-04 David Pfau , Simon Axelrod , Halvard Sutterud , Ingrid von Glehn , James S. Spencer

Variational Monte Carlo (VMC) methods are used to sample classically from distributions corresponding to quantum states which have an efficient classical description. VMC methods are based on performing a number of steps of a Markov chain…

Quantum Physics · Physics 2023-10-27 Ashley Montanaro , Stasja Stanisic

Model space quantum Monte Carlo (MSQMC) is an extension of full configuration interaction QMC (FCIQMC) that allows us to calculate quasi-degenerate and excited electronic states by sampling the effective Hamiltonian in the model space. We…

Chemical Physics · Physics 2017-12-29 Seiichiro L. Ten-no

Recently, artificial intelligence for science has made significant inroads into various fields of natural science research. In the field of quantum many-body computation, researchers have developed numerous ground state solvers based on…

Strongly Correlated Electrons · Physics 2026-02-26 Jia-Qi Wang , Rong-Qiang He , Zhong-Yi Lu

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the…

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…

The combination of continuum Many-Body Quantum physics and Monte Carlo methods provide a powerful and well established approach to first principles calculations for large systems. Replacing the exact solution of the problem with a…

Computational Physics · Physics 2009-10-01 J. R. Trail

Deep neural networks (DNNs) have revolutionized the field of artificial intelligence and have achieved unprecedented success in cognitive tasks such as image and speech recognition. Training of large DNNs, however, is computationally…

Simulating thermal-equilibrium properties at finite temperature is crucial for studying quantum many-body systems. Quantum computers are expected to enable us to simulate large systems at finite temperatures, overcoming challenges faced by…