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We present a study of the parallel tempering (replica exchange) Monte Carlo method, with special focus on the feedback-optimized parallel tempering algorithm, used for generating an optimal set of simulation temperatures. This method is…

Statistical Mechanics · Physics 2014-10-15 Krzysztof Lewandowski , Piotr Knychala , Michal Banaszak

In this paper, we propose a general analysis framework for inexact power iteration, which can be used to efficiently solve high dimensional eigenvalue problems arising from quantum many-body problems. Under the proposed framework, we…

Numerical Analysis · Mathematics 2018-06-29 Jianfeng Lu , Zhe Wang

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

Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have…

Computational Physics · Physics 2007-05-23 David Ceperley , Mark Dewing , Carlo Pierleoni

In this paper, we solve quantum many-body problem by propagating ensembles of trajectories and guiding waves in physical space. We introduce the 'effective potential' correction within the recently proposed time-dependent quantum Monte…

Quantum Physics · Physics 2025-02-05 Ivan P. Christov

The binary Monte Carlo (MC) collision algorithm is a standard and robust method to include binary Coulomb collision effects in particle-in-cell (PIC) simulations of plasmas. Here, we show that the coupling between PIC and MC algorithms can…

Plasma Physics · Physics 2021-01-15 E. Paulo Alves , Warren B. Mori , Frederico Fiuza

We combine the recent $\eta-$ensemble path integral Monte Carlo (PIMC) approach to the free energy [T.~Dornheim \textit{et al.}, \textit{Phys.~Rev.~B} \textbf{111}, L041114 (2025)] with a recent fictitious partition function technique based…

We introduce a Hamiltonian Monte Carlo (HMC) methodology based on a randomized selection of integration times, referred to as eHMC, where "e" stands for empirical. The approach relies on an offline calibration phase that leverages…

Computation · Statistics 2026-05-25 Changye Wu , Pierre Pudlo , Christian P. Robert , Julien Stoehr

It has been argued by Grigoriev and Rubakov that one can simulate real time processes involving baryon number non-conservation at high temperature using real time evolution of classical equations, and summing over initial conditions with a…

High Energy Physics - Theory · Physics 2008-11-26 Dietrich Bödeker , Larry McLerran , Andrei Smilga

Femtoscopic interferometry is a powerful tool for probing the spatio-temporal evolution of emission sources in heavy-ion collisions. A major challenge in the field is formulating a self-consistent description of the source function,…

Nuclear Theory · Physics 2026-03-11 Sheng Xiao , Yijie Wang , Zhigang Xiao

Accurately treating electron correlation in the wavefunction is a key challenge for both classical and quantum computational chemistry. Classical methods have been developed which explicitly account for this correlation by incorporating…

Quantum Physics · Physics 2020-06-22 Sam McArdle , David P. Tew

The direct integration of the harmonic oscillator path integral obscures the fundamental structure of its discrete, imaginary time propagator (density matrix). This work, by first proving an operator identity for contracting two free…

Computational Physics · Physics 2023-10-31 Siu A. Chin

We introduce a new class of generative quantum-neural-network-based models called Quantum Hamiltonian-Based Models (QHBMs). In doing so, we establish a paradigmatic approach for quantum-probabilistic hybrid variational learning, where we…

Quantum Physics · Physics 2019-10-07 Guillaume Verdon , Jacob Marks , Sasha Nanda , Stefan Leichenauer , Jack Hidary

The standard approach for path integral Monte Carlo simulations of open quantum systems is extended as an efficient tool to monitor the time evolution of coherences (off-diagonal elements of the reduced density matrix) also for strong…

Statistical Mechanics · Physics 2015-06-12 Denis Kast , Joachim Ankerhold

We present a hybrid quantum-classical algorithm for the time evolution of out-of-equilibrium thermal states. The method depends upon classically computing a sparse approximation to the density matrix, and then time-evolving each matrix…

Quantum Physics · Physics 2018-10-31 Henry Lamm , Scott Lawrence

A quantum Monte Carlo method with non-local update scheme is presented. The method is based on a path-integral decomposition and a worm operator which is local in imaginary time. It generates states with a fixed number of particles and…

Statistical Mechanics · Physics 2009-11-11 Kris Van Houcke , Stefan Rombouts , Lode Pollet

We propose an efficient method for Monte Carlo simulation of quantum lattice models. Unlike most other quantum Monte Carlo methods, a single run of the proposed method yields the free energy and the entropy with high precision for the whole…

Statistical Mechanics · Physics 2009-11-10 Chiaki Yamaguchi , Naoki Kawashima , Yutaka Okabe

We develop a classical Monte Carlo algorithm based on a quasi-classical approximation for a pseudospin S=1 Hamiltonian in real space to construct a phase diagram of a model cuprate with a high Tc. A model description takes into account both…

Strongly Correlated Electrons · Physics 2021-10-25 Yu. D. Panov , A. S. Moskvin , A. A. Chikov , V. A. Ulitko

The \emph{ab initio} path integral Monte Carlo (PIMC) approach is one of the most successful methods in quantum many-body theory. A particular strength of this method is its straightforward access to imaginary-time correlation functions…

Statistical Mechanics · Physics 2021-08-25 Tobias Dornheim , Zhandos A. Moldabekov , Jan Vorberger

An exact Quantum Kinetic Monte Carlo method is proposed to calculate electron transport for 1D Fermi Hubbard model. The method is directly formulated in real time and can be applied to extract time dependent dynamics of general interacting…

Materials Science · Physics 2018-05-07 Fei Lin , Jianqiu Huang , Celine Hin