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This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wave functions and are capable of achieving very high accuracy. The…

Materials Science · Physics 2010-02-11 R. J. Needs , M. D. Towler , N. D. Drummond , P. Lopez Rios

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

We present a modification to variational Monte Carlo's linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our…

Strongly Correlated Electrons · Physics 2017-02-07 Luning Zhao , Eric Neuscamman

To better understand the capture process by a nanopore, we introduce an efficient Kinetic Monte Carlo (KMC) algorithm that can simulate long times and large system sizes by mapping the dynamic of a point-like particle in a 3D spherically…

Biological Physics · Physics 2021-03-22 Le Qiao , Maxime Ignacio , Gary W. Slater

Ab initio quantum Monte Carlo (QMC) is a state-of-the-art numerical approach for evaluating accurate expectation values of many-body wavefunctions. However, one of the major drawbacks that still hinders widespread QMC applications is the…

Materials Science · Physics 2024-07-17 Kousuke Nakano , Michele Casula , Giacomo Tenti

Optimizing highly complex cost/energy functions over discrete variables is at the heart of many open problems across different scientific disciplines and industries. A major obstacle is the emergence of many-body effects among certain…

We work in a chiral invariant quark model, with a condensed vacuum, characterized by only one parameter. Bound state equations for the nucleon and Delta are solved in order to obtain an updated value of their radii and masses.…

Nuclear Theory · Physics 2008-11-26 P. J. A. Bicudo , L. S. Ferreira , C. M. Plácido , J. E. F. T. Ribeiro

Motivated by recent developments in conformal field theory (CFT), we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct…

Strongly Correlated Electrons · Physics 2014-08-08 Chia-Min Chung , Vincenzo Alba , Lars Bonnes , Pochung Chen , Andreas M. Läuchli

We propose a novel sequential Monte Carlo (SMC) method for sampling from unnormalized target distributions based on a reverse denoising diffusion process. While recent diffusion-based samplers simulate the reverse diffusion using…

Computation · Statistics 2025-11-06 Luhuan Wu , Yi Han , Christian A. Naesseth , John P. Cunningham

Most applications of Bayesian Inference for parameter estimation and model selection in astrophysics involve the use of Monte Carlo techniques such as Markov Chain Monte Carlo (MCMC) and nested sampling. However, these techniques are time…

Instrumentation and Methods for Astrophysics · Physics 2022-01-26 Geetakrishnasai Gunapati , Anirudh Jain , P. K. Srijith , Shantanu Desai

Surface wave tomography uses measured dispersion properties of surface waves to infer the spatial distribution of subsurface properties such as shear-wave velocities. These properties can be estimated vertically below any geographical…

Geophysics · Physics 2020-08-26 Stephanie Earp , Andrew Curtis , Xin Zhang , Fredrik Hansteen

The efficiency of Monte Carlo samplers is dictated not only by energetic effects, such as large barriers, but also by entropic effects that are due to the sheer volume that is sampled. The latter effects appear in the form of an entropic…

Computational Physics · Physics 2009-11-13 Cristian Predescu

We calculate cross sections for low energy elastic exciton-exciton scattering within the effective mass approximation. Unlike previous theoretical approaches, we give a complete, non-perturbative treatment of the four-particle scattering…

Condensed Matter · Physics 2010-07-28 J. Shumway , D. M. Ceperley

Motivated by recently developed techniques making it possible to compute Casimir energies for any object whose scattering S-matrix (or, equivalently, T-matrix) is available, we develop a variable phase method to compute the S-matrix for…

Quantum Physics · Physics 2013-01-01 Aden Forrow , Noah Graham

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

Sequential Monte Carlo (SMC), or particle filtering, is widely used in nonlinear state-space systems, but its performance often suffers from poorly approximated proposal and state-transition distributions. This work introduces a…

Machine Learning · Computer Science 2026-05-14 Wessel L. van Nierop , Nir Shlezinger , Ruud J. G. van Sloun

We show that repulsive random variables can yield Monte Carlo methods with faster convergence rates than the typical $N^{-1/2}$, where $N$ is the number of integrand evaluations. More precisely, we propose stochastic numerical quadratures…

Probability · Mathematics 2019-06-18 Rémi Bardenet , Adrien Hardy

Diffusion Monte Carlo (DMC) is an exact technique to project out the ground state (GS) of a Hamiltonian. Since the GS is always bosonic, in fermionic systems the projection needs to be carried out while imposing anti-symmetric constraints,…

Computational Physics · Physics 2025-01-08 Kousuke Nakano , Sandro Sorella , Dario Alfè , Andrea Zen

We propose a modification, based on the RESTART (repetitive simulation trials after reaching thresholds) and DPR (dynamics probability redistribution) rare event simulation algorithms, of the standard diffusion Monte Carlo (DMC) algorithm.…

Probability · Mathematics 2014-04-10 Martin Hairer , Jonathan Weare

Separable nucleon-nucleon potentials are calculated using inverse scattering techniques as presented in previously published work. The dependence of the potentials on the momentum cut-off of the scattering phase-shifts is studied. Some…

Nuclear Theory · Physics 2007-05-23 H. S. Kohler
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