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We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…

Strongly Correlated Electrons · Physics 2016-11-09 Fabien Alet , Kedar Damle , Sumiran Pujari

We present a simple, general purpose, quantum Monte-Carlo algorithm for out-of-equilibrium interacting nanoelectronics systems. It allows one to systematically compute the expansion of any physical observable (such as current or density) in…

Mesoscale and Nanoscale Physics · Physics 2015-07-08 Rosario E. V. Profumo , Christoph Groth , Laura Messio , Olivier Parcollet , Xavier Waintal

A unique feature of the hybrid quantum Monte Carlo (HQMC) method is the potential to simulate negative sign free lattice fermion models with subcubic scaling in system size. Here we will revisit the algorithm for various models. We will…

Strongly Correlated Electrons · Physics 2018-03-09 Stefan Beyl , Florian Goth , Fakher F. Assaad

In the 20+ years of Doppler observations of stars, scientists have uncovered a diverse population of extrasolar multi-planet systems. A common technique for characterizing the orbital elements of these planets is Markov chain Monte Carlo…

Earth and Planetary Astrophysics · Physics 2015-06-18 Benjamin E. Nelson , Eric B. Ford , Matthew J. Payne

In the absence of a fermion sign problem, auxiliary field (or determinantal) quantum Monte Carlo (DQMC) approaches have long been the numerical method of choice for unbiased, large-scale simulations of interacting many-fermion systems. More…

Strongly Correlated Electrons · Physics 2016-12-22 Peter Broecker , Simon Trebst

Motivated by the physics of strings and branes, we develop a class of Markov chain Monte Carlo (MCMC) algorithms involving extended objects. Starting from a collection of parallel Metropolis-Hastings (MH) samplers, we place them on an…

Computational Physics · Physics 2017-09-13 Jonathan J. Heckman , Jeffrey G. Bernstein , Ben Vigoda

One of the most significant drawbacks of the all-electron ab initio diffusion Monte Carlo (DMC) is that its computational cost drastically increases with the atomic number ($Z$), which typically scales with $Z^{\sim 6}$. In this study, we…

Computational Physics · Physics 2020-04-15 Kousuke Nakano , Ryo Maezono , Sandro Sorella

Cluster algorithms have been recently used to eliminate sign problems that plague Monte-Carlo methods in a variety of systems. In particular such algorithms can also be used to solve sign problems associated with the permutation of fermion…

High Energy Physics - Lattice · Physics 2015-06-25 Shailesh Chandrasekharan

We derive an exact representation of the massless Schwinger model on the lattice in terms of dual variables which are configurations of loops, dimers and plaquette occupation numbers. When expressed with the dual variables the partition sum…

High Energy Physics - Lattice · Physics 2015-12-09 Christof Gattringer , Thomas Kloiber , Vasily Sazonov

When one tries to simulate quantum spin systems by the Monte Carlo method, often the 'minus-sign problem' is encountered. In such a case, an application of probabilistic methods is not possible. In this paper the method has been proposed…

Statistical Mechanics · Physics 2009-11-11 Jacek Wojtkiewicz

We consider generalizations of the classical inverse problem to Bayesien type estimators, where the result is not one optimal parameter but an optimal probability distribution in parameter space. The practical computational tool to compute…

Optimization and Control · Mathematics 2024-05-03 Michael Herty , Christian Ringhofer

Building on our previous works on perturbative solutions to a Schwinger-Dyson for the massless Wess-Zumino model, we show how to compute 1/n corrections to its asymptotic behavior. The coefficients are analytically determined through a sum…

High Energy Physics - Theory · Physics 2014-03-10 Marc P. Bellon , Pierre J. Clavier

The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign…

Strongly Correlated Electrons · Physics 2015-11-18 Hiroshi Shinaoka , Yusuke Nomura , Silke Biermann , Matthias Troyer , Philipp Werner

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

This paper presents a perspective in which Direct Simulation Monte Carlo (DSMC) is viewed not in its traditional role as an algorithm for solving the Boltzmann equation but as a numerical method for statistical mechanics. First, analytical…

Statistical Mechanics · Physics 2025-01-15 Alejandro L. Garcia

The absence of negative sign problem in quantum Monte Carlo simulations of spin and fermion systems has different origins. World-line based algorithms for spins require positivity of matrix elements whereas auxiliary field approaches for…

Strongly Correlated Electrons · Physics 2018-03-14 Toshihiro Sato , Fakher F. Assaad , Tarun Grover

This paper develops the use of Dirichlet forms to deliver proofs of optimal scaling results for Markov chain Monte Carlo algorithms (specifically, Metropolis-Hastings random walk samplers) under regularity conditions which are substantially…

Probability · Mathematics 2017-04-07 Giacomo Zanella , Wilfrid S. Kendall , Mylène Bédard

In this work we introduce the Dual Boson Diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for non-perturbative description of local correlations…

Strongly Correlated Electrons · Physics 2020-11-06 M. Vandelli , V. Harkov , E. A. Stepanov , J. Gukelberger , E. Kozik , A. Rubio , A. I. Lichtenstein

Monte Carlo (MC) simulations are essential computational approaches with widespread use throughout all areas of science. We present a method for accelerating lattice MC simulations using fully connected and convolutional artificial neural…

Strongly Correlated Electrons · Physics 2019-07-31 Shaozhi Li , Philip M. Dee , Ehsan Khatami , Steven Johnston

We generalize the recently developed diagrammatic Monte Carlo techniques for quantum impurity models from an imaginary time to a Keldysh formalism suitable for real-time and nonequilibrium calculations. Both weak-coupling and…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Philipp Werner , Takashi Oka , Andrew J. Millis