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We present a quantum Monte Carlo method capable of sampling the full density matrix of a many-particle system at finite temperature. This allows arbitrary reduced density matrix elements and expectation values of complicated non-local…

Computational Physics · Physics 2015-06-15 N. S. Blunt , T. W. Rogers , J. S. Spencer , W. M. C. Foulkes

In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground state eigenvalue problems known as the Feynman-Kitaev Clock. A prominent family of methods for the study of quantum ground…

Quantum Physics · Physics 2015-01-14 Jarrod R. McClean , Alán Aspuru-Guzik

We develop the impurity lattice Monte Carlo formalism, for the case of two distinguishable impurities in a bath of polarized fermions. The majority particles are treated as explicit degrees of freedom, while the impurities are described by…

Nuclear Theory · Physics 2022-09-21 Fabian Hildenbrand , Serdar Elhatisari , Timo A. Lähde , Dean Lee , Ulf-G. Meißner

We develop nonequilibrium auxiliary quantum master equation dual boson method (aux-DB), and argue that it presents a convenient way to describe steady states of correlated impurity models (such as single molecule optoelectronic devices)…

Mesoscale and Nanoscale Physics · Physics 2020-06-29 Feng Chen , Mikhail I. Katsnelson , Michael Galperin

A continuous-time formulation of the Diffusion Monte Carlo method for lattice models is presented. In its simplest version, without the explicit use of trial wavefunctions for importance sampling, the method is an excellent tool for…

Strongly Correlated Electrons · Physics 2009-11-10 Olav F. Syljuasen

A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…

Strongly Correlated Electrons · Physics 2016-08-31 Daniel J. Garcia , Karen Hallberg , Marcelo J. Rozenberg

We use non-equilibrium dynamical mean-field theory in combination with a recently developed Quantum Monte Carlo impurity solver to study the real-time dynamics of a Hubbard model which is driven out of equilibrium by a sudden increase in…

Strongly Correlated Electrons · Physics 2010-04-08 Martin Eckstein , Marcus Kollar , Philipp Werner

The bold diagrammatic Monte Carlo (BDMC) method performs an unbiased sampling of Feynman's diagrammatic series using skeleton diagrams. For lattice models the efficiency of BDMC can be dramatically improved by incorporating dynamic…

Statistical Mechanics · Physics 2015-05-20 L. Pollet , N. V. Prokof'ev , B. V. Svistunov

We investigate a Kondo lattice model with correlated conduction electrons. Within dynamical mean-field theory the model maps onto an impurity model where the host has to be determined self-consistently. This impurity model can be derived…

Strongly Correlated Electrons · Physics 2009-10-31 Tom Schork , Stefan Blawid , Jun-ichi Igarashi

Recently the general form of a translation-covariant quantum Boltzmann equation has been derived which describes the dynamics of a tracer particle in a quantum gas. We develop a stochastic wave function algorithm that enables full…

Quantum Physics · Physics 2007-09-24 Heinz-Peter Breuer , Bassano Vacchini

Uncertainty quantification (UQ) techniques are frequently used to ascertain output variability in systems with parametric uncertainty. Traditional algorithms for UQ are either system-agnostic and slow (such as Monte Carlo) or fast with…

Computation · Statistics 2015-03-19 Tuhin Sahai , Jose Miguel Pasini

The real-time dynamics of the Fermi-Hubbard model, driven out of equilibrium by quenching or ramping the interaction parameter, is studied within the framework of the nonequilibrium self-energy functional theory. A dynamical impurity…

Strongly Correlated Electrons · Physics 2016-06-03 Felix Hofmann , Martin Eckstein , Michael Potthoff

This article introduces a novel dynamic framework to Bayesian model averaging for time-varying parameter quantile regressions. By employing sequential Markov chain Monte Carlo, we combine empirical estimates derived from dynamically chosen…

Statistics Theory · Mathematics 2024-11-08 Mauro Bernardi , Roberto Casarin , Bertrand Maillet , Lea Petrella

We have developed a novel Monte Carlo method for simulating the dynamical evolution of stellar systems in arbitrary geometry. The orbits of stars are followed in a smooth potential represented by a basis-set expansion and perturbed after…

Astrophysics of Galaxies · Physics 2014-12-04 Eugene Vasiliev

Molecular simulations in an open environment, involving ion exchange, are necessary to study various systems, from biosystems to confined electrolytes. However, grand-canonical simulations are often computationally demanding in condensed…

Chemical Physics · Physics 2023-11-13 Jeongmi Kim , Luc Belloni , Benjamin Rotenberg

Multifidelity Monte Carlo methods often rely on a preprocessing phase consisting of standard Monte Carlo sampling to estimate correlation coefficients between models of different fidelity to determine the weights and number of samples for…

Data Analysis, Statistics and Probability · Physics 2021-06-29 Todd A. Oliver , Christopher S. Simmons , Robert D. Moser

Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime,…

Strongly Correlated Electrons · Physics 2025-04-01 Aaram J. Kim , Philipp Werner

Since its first description fifty years ago, the Metropolis Monte Carlo method has been used in a variety of different ways for the simulation of continuum quantum many-body systems. This paper will consider some of the generalizations of…

Computational Physics · Physics 2009-11-10 D. M. Ceperley

We present a new impurity solver for dynamical mean-field theory based on imaginary-time evolution of matrix product states. This converges the self-consistency loop on the imaginary-frequency axis and obtains real-frequency information in…

Strongly Correlated Electrons · Physics 2015-11-30 F. Alexander Wolf , Ara Go , Ian P. McCulloch , Andrew J. Millis , Ulrich Schollwöck

A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…

Computational Physics · Physics 2017-02-07 Liborio I. Costa
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