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We present a real-time quantum Monte Carlo algorithm that simulates the dynamics of open quantum systems by stochastically compressing and evolving the density matrix under both Markovian and non-Markovian master equations. Our algorithm…

Quantum Physics · Physics 2025-09-11 Tong Shen , Daniel A. Lidar

We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and Kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory,…

Materials Science · Physics 2009-11-10 G. Russo , L. M. Sander , P. Smereka

We introduce an exact Monte Carlo approach to the statistics of discrete quantum systems which does not rely on the standard fragmentation of the imaginary time, or any small parameter. The method deals with discrete objects, kinks,…

Condensed Matter · Physics 2009-10-28 N. V. Prokof'ev , B. V. Svistunov , I. S. Tupitsyn

Diagrammatic Monte Carlo methods provide robust routines for accurate computations of correlated electronic systems in the thermodynamical limit. Recently, its versatility was extended to SU(N) Hubbard model, where the core is a novel…

Strongly Correlated Electrons · Physics 2025-09-30 Boyuan Shi

We express the recently introduced real-time diagrammatic Quantum Monte Carlo, Phys. Rev. B 91, 245154 (2015), in the Larkin-Ovchinnikov basis in Keldysh space. Based on a perturbation expansion in the local interaction $U$, the special…

Strongly Correlated Electrons · Physics 2020-11-19 Alice Moutenet , Priyanka Seth , Michel Ferrero , Olivier Parcollet

We develop a new analytical method for solving real time evolution problems of quantum many-body systems. Our approach is a direct generalization of the well-known canonical perturbation theory for classical systems. Similar to canonical…

Strongly Correlated Electrons · Physics 2009-11-13 A. Hackl , S. Kehrein

Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…

Strongly Correlated Electrons · Physics 2019-06-05 Evan Sheridan , Cedric Weber , Evgeny Plekhanov , Christopher Rhodes

Impurity solvers play an essential role in the numerical investigation of strongly correlated electrons systems within the "dynamical mean field" approximation. Recently, a new class of continuous-time solvers has been developed, based on a…

Strongly Correlated Electrons · Physics 2011-11-09 Emanuel Gull , Philipp Werner , Andrew J. Millis , Matthias Troyer

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a novel…

Statistical Mechanics · Physics 2017-12-27 Tameem Albash , Gene Wagenbreth , Itay Hen

The solution of a generalized impurity model lies at the heart of electronic structure calculations with dynamical mean-field theory (DMFT). In the strongly-correlated regime, the method of choice for solving the impurity model is the…

Strongly Correlated Electrons · Physics 2014-09-23 P. Sémon , Chuck-Hou Yee , Kristjan Haule , A. -M. S. Tremblay

Quantum Monte Carlo is one of the most powerful numerical tools for studying nonpeturbative properties of quantum many-body systems. However, its application to real-time problems is limited since the complex and highly-oscillating…

Quantum Physics · Physics 2021-07-16 Tomoya Hayata

Direct numerical evaluation of the real-time path integral has a well-known sign problem that makes convergence exponentially slow. One promising remedy is to use Picard-Lefschetz theory to flow the domain of the field variables into the…

High Energy Physics - Lattice · Physics 2019-06-19 Zong-Gang Mou , Paul M. Saffin , Anders Tranberg , Simon Woodward

We develop a method for calculating the self-energy of a quantum impurity coupled to a continuous bath by stochastically generating a distribution of finite Anderson models that are solved by exact diagonalization, using the noninteracting…

Strongly Correlated Electrons · Physics 2012-09-13 Mats Granath , Hugo U. R. Strand

The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures.…

Strongly Correlated Electrons · Physics 2015-10-15 Fionn D. Malone , N. S. Blunt , James J. Shepherd , D. K. K. Lee , J. S. Spencer , W. M. C. Foulkes

We develop an iterative, numerically exact approach for the treatment of nonequilibrium quantum transport and dissipation problems that avoids the real-time sign problem associated with standard Monte Carlo techniques. The method requires a…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Dvira Segal , Andrew J. Millis , David R. Reichman

We present a general approach to describe slowly driven quantum systems both in real and imaginary time. We highlight many similarities, qualitative and quantitative, between real and imaginary time evolution. We discuss how the metric…

Statistical Mechanics · Physics 2013-09-13 C. De Grandi , A. Polkovnikov , A. W. Sandvik

We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…

Statistical Mechanics · Physics 2020-08-05 Lalit Gupta , Tameem Albash , Itay Hen

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

We describe the hybridization-expansion continuous-time quantum Monte Carlo code package "w2dynamics", developed in Wien and W\"urzburg. We discuss the main features of this multi-orbital quantum impurity solver for the Anderson impurity…

Quantum Monte Carlo and semiclassical methods are used to solve two and four site cluster dynamical mean field approximations to the square lattice Hubbard model at half filling and strong coupling. The energy, spin correlation function,…

Strongly Correlated Electrons · Physics 2009-11-11 Andreas Fuhrmann , Satoshi Okamoto , Hartmut Monien , Andrew J. Millis