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We present an implementation of a fully self-consistent finite temperature second order Green's function perturbation theory (GF2) within the diagrammatic Monte Carlo framework. In contrast to the previous implementations of stochastic GF2…

Chemical Physics · Physics 2020-09-22 Blair Winograd , Emanuel Gull , Dominika Zgid

The notorious sign problem severely limits the applicability of quantum Monte Carlo (QMC) simulations, as statistical errors grow exponentially with system size and inverse temperature. A recent proposal of a quantum-computing stochastic…

Quantum Physics · Physics 2026-03-11 Kwai-Kong Ng , Min-Fong Yang

We introduce a performance-optimized method to simulate localization problems on bipartite tight-binding lattices. It combines an exact renormalization group step to reduce the sparseness of the original problem with the recursive Green's…

Disordered Systems and Neural Networks · Physics 2021-06-08 Martin Puschmann , Thomas Vojta

We present a new Monte Carlo algorithm for simulating quantum spin systems which is able to suppress the negative sign problem. This algorithm has only a linear complexity in the lattice size used for the simulation. A general description…

High Energy Physics - Lattice · Physics 2007-05-23 A. Galli

We employ a variational Monte Carlo approach to efficiently obtain the dynamical structure factor for the spin-1/2 $J_1-J_2$ Heisenberg model on the square lattice. Upon increasing the frustrating ratio $J_2/J_1$, the ground state undergoes…

Strongly Correlated Electrons · Physics 2018-09-26 Francesco Ferrari , Federico Becca

We present a new numerical Monte Carlo approach to determine the scaling behavior of lattice field theories far from equilibrium. The presented methods are generally applicable to systems where classical-statistical fluctuations dominate…

High Energy Physics - Lattice · Physics 2013-11-19 David Mesterházy , Luca Biferale , Karl Jansen , Raffaele Tripiccione

Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard to provide high quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation…

Chemical Physics · Physics 2016-07-06 Andrea Zen , Sandro Sorella , Michael J. Gillan , Angelos Michaelides , Dario Alfè

The second-order Green's function method (GF2) was shown recently to be an accurate self-consistent approach for electronic structure of correlated systems since the self-energy accounts for both the weak and some of the strong correlation.…

Chemical Physics · Physics 2016-03-31 Daniel Neuhauser , Roi Baer , Dominika Zgid

We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…

Computational Physics · Physics 2026-01-27 Arman Babakhani , Lev Barash , Itay Hen

A possible solution of the notorious sign problem preventing direct Monte Carlo calculations for systems with non-zero chemical potential is to deform the integration region in the complex plane to a Lefschetz thimble. We investigate this…

High Energy Physics - Lattice · Physics 2016-01-27 Andrei Alexandru , Gokce Basar , Paulo Bedaque

In this paper we propose new algorithm to reduce autocorrelation in Markov chain Monte-Carlo algorithms for euclidean field theories on the lattice. Our proposing algorithm is the Hybrid Monte-Carlo algorithm (HMC) with restricted Boltzmann…

High Energy Physics - Lattice · Physics 2017-12-13 Akinori Tanaka , Akio Tomiya

We present a novel strategy to strongly reduce the severity of the sign problem, using line integrals along paths of changing imaginary action. Highly oscillating regions along these paths cancel out, decreasing their contributions. As a…

High Energy Physics - Lattice · Physics 2023-10-18 Rasmus N. Larsen

We consider a hybrid Monte Carlo algorithm which is applicable to lattice theories defined on Lefschetz thimbles. In the algorithm, any point (field configuration) on a thimble is parametrized uniquely by the flow-direction and the…

High Energy Physics - Lattice · Physics 2015-06-17 H. Fujii , D. Honda , M. Kato , Y. Kikukawa , S. Komatsu , T. Sano

We present new and exact ``sign rules'' for various spin-s anisotropic spin-lattice models. It is shown that, after a simple transformation which utilizes these sign rules, the ground-state wave function of the transformed Hamiltonian is…

Strongly Correlated Electrons · Physics 2017-08-24 R. F. Bishop , D. J. J. Farnell , J. B. Parkinson

We present a new approach for Monte Carlo simulations of lattice quantum spin systems which is able to eliminate the negative sign problem. Its complexity is linear in the volume of the lattice. Its efficiency is tested on a simple…

High Energy Physics - Lattice · Physics 2008-02-03 A. Galli

Properties of the self-adjusted Monte Carlo algorithm applied to 2d Ising ferromagnet are studied numerically. The endogenous feedback form expressed in terms of the instant running averages is suggested in order to generate a biased random…

Statistical Mechanics · Physics 2009-11-11 Denis Horvath , Martin Gmitra , Zoltan Kuscsik

We discuss the sign problem arising in Monte Carlo simulations of frustrated quantum spin systems. We show that for a class of ``semi-frustrated'' systems (Heisenberg models with ferromagnetic couplings $J_z(r) < 0$ along the $z$-axis and…

Strongly Correlated Electrons · Physics 2009-10-31 Patrik Henelius , Anders W. Sandvik

Least squares Monte Carlo methods are a popular numerical approximation method for solving stochastic control problems. Based on dynamic programming, their key feature is the approximation of the conditional expectation of future rewards by…

Optimization and Control · Mathematics 2022-03-28 Christian Bayer , Denis Belomestny , Paul Hager , Paolo Pigato , John Schoenmakers , Vladimir Spokoiny

A representation of Lattice Gauge Theories (LGT) suitable for simulations with tensor network state methods or with quantum computers requires a truncation of the Hilbert space to a finite dimensional approximation. In particular for U(1)…

High Energy Physics - Lattice · Physics 2025-12-19 Timo Jakobs , Marco Garofalo , Tobias Hartung , Karl Jansen , Paul Ludwig , Johann Ostmeyer , Simone Romiti , Carsten Urbach

We consider the sign problem for classical spin models at complex $\beta =1/g_0^2$ on $L\times L$ lattices. We show that the tensor renormalization group method allows reliable calculations for larger Im$\beta$ than the reweighting Monte…

High Energy Physics - Lattice · Physics 2014-01-15 Alan Denbleyker , Yuzhi Liu , Y. Meurice , M. P. Qin , T. Xiang , Z. Y. Xie , J. F. Yu , Haiyuan Zou