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We review recent advances in the shell model Monte Carlo approach for the microscopic calculation of statistical and collective properties of nuclei. We discuss applications to the calculation of (i) level densities in nickel isotopes,…

Nuclear Theory · Physics 2016-01-05 Y. Alhassid

Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic…

Computational Physics · Physics 2023-07-18 Ruichen Li , Haotian Ye , Du Jiang , Xuelan Wen , Chuwei Wang , Zhe Li , Xiang Li , Di He , Ji Chen , Weiluo Ren , Liwei Wang

Neural-network quantum states (NQS) offer a powerful and expressive ansatz for representing quantum many-body wave functions. However, their training via Variational Monte Carlo (VMC) methods remains challenging. It is well known that some…

Quantum Physics · Physics 2025-07-09 Antoine Misery , Luca Gravina , Alessandro Santini , Filippo Vicentini

We introduce a neural network-based approach for modeling wave functions that satisfy Bose-Einstein statistics. Applying this model to small $^4He_N$ clusters (with N ranging from 2 to 14 atoms), we accurately predict ground state energies,…

Atomic and Molecular Clusters · Physics 2023-12-20 William Freitas , S. A. Vitiello

We revisit the accuracy of the variational Monte Carlo (VMC) method by taking an example of ground state properties for the one-dimensional Hubbard model. We start from the variational wave functions with the Gutzwiller and long-range…

Strongly Correlated Electrons · Physics 2013-08-13 Ryui Kaneko , Satoshi Morita , Masatoshi Imada

Deep-Learning-based Variational Monte Carlo (DL-VMC) has recently emerged as a highly accurate approach for finding approximate solutions to the many-electron Schr\"odinger equation. Despite its favorable scaling with the number of…

Computational Physics · Physics 2024-05-14 Leon Gerard , Michael Scherbela , Halvard Sutterud , Matthew Foulkes , Philipp Grohs

Monte Carlo simulations are widely used in many areas including particle accelerators. In this lecture, after a short introduction and reviewing of some statistical backgrounds, we will discuss methods such as direct inversion, rejection…

Computational Physics · Physics 2020-06-19 Ji Qiang

We present a variational Monte Carlo method that solves the nuclear many-body problem in the occupation number formalism exploiting an artificial neural network representation of the ground-state wave function. A memory-efficient version of…

Expectation values of physical quantities may accurately be obtained by the evaluation of integrals within Many-Body Quantum mechanics, and these multi-dimensional integrals may be estimated using Monte Carlo methods. In a previous…

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

Monte Carlo (MC) sampling is a popular method for estimating the statistics (e.g. expectation and variance) of a random variable. Its slow convergence has led to the emergence of advanced techniques to reduce the variance of the MC…

Statistics Theory · Mathematics 2024-06-21 Mohamed Reda El Amri , Paul Mycek , Sophie Ricci , Matthias De Lozzo

We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of…

Statistical Mechanics · Physics 2016-08-31 Jiwen Liu , Erik Luijten

We present a novel quantum Monte Carlo method based on a path integral in Fock space, which allows to compute finite-temperature properties of a many-body nuclear system with a monopole pairing interaction in the canonical ensemble. It…

Nuclear Theory · Physics 2009-01-23 N. J. Cerf

We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample the M{\o}ller-Plesset (MPn) perturbation series, obtaining…

Strongly Correlated Electrons · Physics 2023-07-26 G. Bighin , Q. P. Ho , M. Lemeshko , T. V. Tscherbul

Artificial neural networks have been successfully incorporated into variational Monte Carlo method (VMC) to study quantum many-body systems. However, there have been few systematic studies of exploring quantum many-body physics using deep…

Strongly Correlated Electrons · Physics 2020-02-26 Li Yang , Zhaoqi Leng , Guangyuan Yu , Ankit Patel , Wen-Jun Hu , Han Pu

In this article, we analyze Hamiltonian Monte Carlo (HMC) by placing it in the setting of Riemannian geometry using the Jacobi metric, so that each step corresponds to a geodesic on a suitable Riemannian manifold. We then combine the notion…

Probability · Mathematics 2015-05-21 Susan Holmes , Simon Rubinstein-Salzedo , Christof Seiler

A method for the multifidelity Monte Carlo (MFMC) estimation of statistical quantities is proposed which is applicable to computational budgets of any size. Based on a sequence of optimization problems each with a globally minimizing…

Numerical Analysis · Mathematics 2022-11-15 Anthony Gruber , Max Gunzburger , Lili Ju , Zhu Wang

While multilevel Monte Carlo (MLMC) methods for the numerical approximation of partial differential equations with random coefficients enjoy great popularity, combinations with spatial adaptivity seem to be rare. We present an adaptive MLMC…

Numerical Analysis · Mathematics 2017-12-20 Ralf Kornhuber , Evgenia Youett

Orthogonal Monte Carlo (OMC) is a very effective sampling algorithm imposing structural geometric conditions (orthogonality) on samples for variance reduction. Due to its simplicity and superior performance as compared to its Quasi Monte…

Machine Learning · Computer Science 2020-05-29 Han Lin , Haoxian Chen , Tianyi Zhang , Clement Laroche , Krzysztof Choromanski

The cluster variation method (CVM) is a hierarchy of approximate variational techniques for discrete (Ising--like) models in equilibrium statistical mechanics, improving on the mean--field approximation and the Bethe--Peierls approximation,…

Statistical Mechanics · Physics 2007-07-16 Alessandro Pelizzola

We present a variational Monte Carlo (VMC) formulation for the universal equations of state at the Van der Waals length scale [B. Gao, J. Phys. B \textbf{37}, L227 (2004)] for $N$ Bose atoms in a trap. The theory illustrates both how such…

Statistical Mechanics · Physics 2009-11-11 Imran Khan , Bo Gao