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We extend the continuous-time interaction-expansion quantum Monte Carlo method with respect to measuring observables for fermion-boson lattice models. Using generating functionals, we express expectation values involving boson operators,…

Strongly Correlated Electrons · Physics 2017-01-04 Manuel Weber , Fakher F. Assaad , Martin Hohenadler

We present a new quantum Monte Carlo algorithm suitable for generically complex problems, such as systems coupled to external magnetic fields or anyons in two spatial dimensions. We find that the choice of gauge plays a nontrivial role, and…

Condensed Matter · Physics 2009-10-22 Lizeng Zhang , Geoff Canright , Ted Barnes

The new {\em ab initio} quantum path integral Monte Carlo approach has been developed and applied for the entropy difference calculations for the strongly coupled degenerated uniform electron gas (UEG), a well--known model of simple metals.…

Plasma Physics · Physics 2021-07-28 Vladimir Filinov , Pavel Levashov , Alexander Larkin

The accuracy of Green Function Monte Carlo (GFMC) simulations can be greatly improved by a clever choice of the approximate ground state wave function that controls configuration sampling. This trial wave function typically depends on many…

High Energy Physics - Lattice · Physics 2007-05-23 Matteo Beccaria , Massimo Campostrini , Alessandra Feo

Smeared link fermionic actions can be straightforwardly simulated with partial-global updating. The efficiency of this simulation is greatly increased if the fermionic matrix is written as a product of several near-identical terms. Such a…

High Energy Physics - Lattice · Physics 2009-11-07 Andrei Alexandru , Anna Hasenfratz

Fermionic Linear Optics (FLO) is a restricted model of quantum computation which in its original form is known to be efficiently classically simulable. We show that, when initialized with suitable input states, FLO circuits can be used to…

Quantum Physics · Physics 2022-06-14 Michał Oszmaniec , Ninnat Dangniam , Mauro E. S. Morales , Zoltán Zimborás

We describe a Fourier Accelerated Hybrid Monte Carlo algorithm suitable for dynamical fermion simulations of non-gauge models. We test the algorithm in supersymmetric quantum mechanics viewed as a one-dimensional Euclidean lattice field…

High Energy Physics - Lattice · Physics 2011-07-28 S. Catterall , S. Karamov

Continuous-time determinantal algorithm is proposed for the quantum Monte Carlo simulation of the interacting fermions. The scheme does not invoke Hubbard-Stratonovich transformation. The fermionic action is divided into two parts. One of…

Strongly Correlated Electrons · Physics 2007-05-23 A. N. Rubtsov

We present a detailed study of a filtering method based upon Dirac quasi-zero-modes in the adjoint representation. The procedure induces no distortions on configurations which are solutions of the euclidean classical equations of motion. On…

High Energy Physics - Lattice · Physics 2015-05-27 Margarita Garcia Perez , Antonio Gonzalez-Arroyo , Alfonso Sastre

This thesis is focused on the implementation and the application of a novel kind of algorithm which is expected to overcome the limitations of older schemes. This new algorithm is named Multiboson Method. It allows to simulate an arbitrary…

High Energy Physics - Lattice · Physics 2009-09-29 Wolfram Schroers

We formulate and characterize a new constraint for Auxiliary Field Quantum Monte Carlo (AFQMC) applicable for general fermionic systems, which allows for the accumulation of phase in the random walk but disallows walkers with a magnitude of…

Chemical Physics · Physics 2023-06-16 John L. Weber , Hung Vuong , Richard A. Friesner , David R. Reichman

A framework is presented for fitting inverse problem models via variational Bayes approximations. This methodology guarantees flexibility to statistical model specification for a broad range of applications, good accuracy and reduced model…

Methodology · Statistics 2024-09-05 Luca Maestrini , Robert G. Aykroyd , Matt P. Wand

A new Monte Carlo method is proposed for fermion systems interacting with classical degrees of freedom. To obtain a weight for each Monte Carlo sample with a fixed configuration of classical variables, the moment expansion of the density of…

Strongly Correlated Electrons · Physics 2015-06-24 Yukitoshi Motome , Nobuo Furukawa

We present a simple and efficient method to optimize within energy minimization the determinantal component of the many-body wave functions commonly used in quantum Monte Carlo calculations. The approach obtains the optimal wave function as…

Other Condensed Matter · Physics 2009-11-11 Anthony Scemama , Claudia Filippi

We introduce Majorana Propagation, an algorithmic framework for the classical simulation of Fermionic circuits. Inspired by Pauli Propagation, Majorana Propagation operates by applying successive truncations throughout the Heisenberg…

Treating the fermionic ground state problem as a constrained stochastic optimization problem, a formalism for fermionic quantum Monte Carlo is developed that makes no reference to a trial wavefunction. Exchange symmetry is enforced by…

Strongly Correlated Electrons · Physics 2020-10-14 Michael Hutcheon

We study several aspects of the recently introduced fixed-phase spin-orbit diffusion Monte Carlo (FPSODMC) method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure…

Computational Physics · Physics 2017-10-18 Cody A. Melton , Lubos Mitas

It was recently shown that path integral Monte Carlo can be used to directly compute partition functions of Hamiltonians with vibronic coupling [J. Chem. Phys. 148, 194110 (2018)]. While the importance sampling Monte Carlo integration…

Chemical Physics · Physics 2019-12-30 Dmitri Iouchtchenko , Neil Raymond , Pierre-Nicholas Roy , Marcel Nooijen

Due to the intrinsic complexity of the quantum many-body problem, quantum Monte Carlo algorithms and their corresponding Monte Carlo configurations can be defined in various ways. Configurations corresponding to few Feynman diagrams often…

Strongly Correlated Electrons · Physics 2019-04-30 Alexander Kowalski , Andreas Hausoel , Markus Wallerberger , Patrik Gunacker , Giorgio Sangiovanni

In this paper we address the widely-experienced difficulty in tuning Hamiltonian-based Monte Carlo samplers. We develop an algorithm that allows for the adaptation of Hamiltonian and Riemann manifold Hamiltonian Monte Carlo samplers using…

Computation · Statistics 2013-02-26 ziyu wang , Shakir Mohamed , Nando de Freitas