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We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…

Strongly Correlated Electrons · Physics 2025-10-17 Deqian Kong , Shi Feng , Jianwen Xie , Ying Nian Wu

We propose a novel family of asymptotically stable, implicit-explicit, adaptive, time integration method (denoted with the $\theta$-method) for the solution of the fractional advection-diffusion-reaction (FADR) equations. This family of…

Numerical Analysis · Mathematics 2023-01-18 Dipa Ghosh , Tanisha Chauhan , Sarthok Sircar

We introduce a new method to evaluate algebraic integrals over the simplex numerically. This new approach employs techniques from tropical geometry and exceeds the capabilities of existing numerical methods by an order of magnitude. The…

Mathematical Physics · Physics 2023-10-23 Michael Borinsky

In this paper, we reexamine the validity of using time quantified Monte Carlo (TQMC) method [Phys. Rev. Lett. 84, 163 (2000); Phys. Rev. Lett. 96, 067208 (2006)] in simulating the stochastic dynamics of interacting magnetic nanoparticles.…

Statistical Mechanics · Physics 2009-11-11 X. Z. Cheng , M. B. A Jalil , Hwee Kuan Lee

A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…

Soft Condensed Matter · Physics 2009-11-11 A. Duncan , R. D. Sedgewick

Strongly correlated quantum impurity problems appear in a wide variety of contexts ranging from nanoscience and surface physics to material science and the theory of strongly correlated lattice models, where they appear as auxiliary systems…

Strongly Correlated Electrons · Physics 2013-02-19 Hartmut Hafermann , Philipp Werner , Emanuel Gull

We present a general formalism that allows for the computation of large-order renormalized expansions in the spacetime representation, effectively doubling the numerically attainable perturbation order of renormalized Feynman diagrams. We…

Strongly Correlated Electrons · Physics 2020-11-12 Riccardo Rossi , Fedor Simkovic , Michel Ferrero

We present a diagrammatic Monte Carlo method for quantum impurity problems with general interactions and general hybridization functions. Our method uses a recursive determinant scheme to sample diagrams for the scattering amplitude. Unlike…

Strongly Correlated Electrons · Physics 2020-08-13 Jia Li , Markus Wallerberger , Emanuel Gull

Hamiltonian Monte Carlo (HMC) improves the computational efficiency of the Metropolis algorithm by reducing its random walk behavior. Riemannian Manifold HMC (RMHMC) further improves HMC's performance by exploiting the geometric properties…

Computation · Statistics 2015-06-22 Shiwei Lan , Vassilios Stathopoulos , Babak Shahbaba , Mark Girolami

We introduce a new Monte Carlo method for pure gauge theories. It is not intended for use with dynamical fermions. It belongs to the class of Local Hybrid Monte Carlo (LHMC) algorithms, which make use of the locality of the action by…

High Energy Physics - Lattice · Physics 2009-10-22 A. D. Kennedy , K. M. Bitar

This paper develops an efficient Monte Carlo interior penalty discontinuous Galerkin method for electromagnetic wave propagation in random media. This method is based on a multi-modes expansion of the solution to the time-harmonic random…

Numerical Analysis · Mathematics 2018-06-15 Xiaobing Feng , Junshan Lin , Cody Lorton

We develop an asynchronous event-driven First-Passage Kinetic Monte Carlo (FPKMC) algorithm for continuous time and space systems involving multiple diffusing and reacting species of spherical particles in two and three dimensions. The…

Materials Science · Physics 2015-05-13 A. Donev , V. V. Bulatov , T. Oppelstrup , G. H. Gilmer , B. Sadigh , M. H. Kalos

We provide a deepened study of autocorrelations in Neural Markov Chain Monte Carlo (NMCMC) simulations, a version of the traditional Metropolis algorithm which employs neural networks to provide independent proposals. We illustrate our…

Statistical Mechanics · Physics 2023-01-18 Piotr Białas , Piotr Korcyl , Tomasz Stebel

We present a prescription for choosing orthogonal bases of differential $n$-forms belonging to quadratic twisted period integrals, with respect to the intersection number inner product. To evaluate these inner products, we additionally…

High Energy Physics - Theory · Physics 2024-05-29 Giulio Crisanti , Sid Smith

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. The former provides a powerful tool to construct a systematic expansion for a generic interacting system, while…

Materials Science · Physics 2019-05-15 Kun Chen , Kristjan Haule

This study introduces a computationally efficient algorithm, delayed acceptance Markov chain Monte Carlo (DA-MCMC), designed to improve posterior simulation in quasi-Bayesian inference. Quasi-Bayesian methods, which do not require fully…

Computation · Statistics 2026-02-16 Masahiro Tanaka

We present the Monte Carlo with Absorbing Markov Chains (MCAMC) method for extremely long kinetic Monte Carlo simulations. The MCAMC algorithm does not modify the system dynamics. It is extremely useful for models with discrete state spaces…

Materials Science · Physics 2007-05-23 M. A. Novotny , Shannon M. Wheeler

Recent successes in Monte Carlo methods for simulating fermionic quantum impurity models have been based on diagrammatic resummation techniques, but are restricted by the need to sum over factorially large classes of diagrams individually.…

Strongly Correlated Electrons · Physics 2018-10-03 Aviel Boag , Emanuel Gull , Guy Cohen

Over the last year significant progress was made in the understanding of the computation of Feynman integrals using differential equations. These lectures give a review of these developments, while not assuming any prior knowledge of the…

High Energy Physics - Phenomenology · Physics 2015-06-23 Johannes M. Henn

Ensemble Kalman methods solve problems in domains such as filtering and inverse problems with interacting particles that evolve over time. For computationally expensive problems, the cost of attaining a high accuracy quickly becomes…

Numerical Analysis · Mathematics 2025-02-18 Arne Bouillon , Toon Ingelaere , Giovanni Samaey