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The auxiliary-field quantum Monte Carlo (AFMC) method is a powerful and widely used technique for ground-state and finite-temperature simulations of quantum many-body systems. We introduce several algorithmic improvements for…

Computational Physics · Physics 2021-03-18 C. N. Gilbreth , S. Jensen , Y. Alhassid

Simulating the long-term dynamics of multi-scale and multi-physics systems poses a significant challenge in understanding complex phenomena across science and engineering. The complexity arises from the intricate interactions between scales…

Machine Learning · Computer Science 2025-09-22 Da Long , Shandian Zhe , Samuel Williams , Leonid Oliker , Zhe Bai

A rigorous theoretical framework is developed for a generalized local frame transformation theory (GLFT). The GLFT is applicable to the following systems: to Rydberg atoms or molecules in an electric field, or to negative ions in any…

Atomic Physics · Physics 2017-11-01 P. Giannakeas , Chris H. Greene , F. Robicheaux

Combustion stabilization and enhancement of the flammability limits are mandatory objectives to improve nowadays combustion chambers. At this purpose, the use of an electric field in the flame region provides a solution which is, at the…

Fluid Dynamics · Physics 2017-12-13 M. Di Renzo , P. De Palma , M. D. de Tullio , G. Pascazio

To achieve efficient and accurate long-time integration, we propose a fast, accurate, and stable high-order numerical method for solving fractional-in-space reaction-diffusion equations. The proposed method is explicit in nature and…

Numerical Analysis · Mathematics 2020-03-31 Almushaira Mustafa , Harish Bhatt

We present an efficient algorithm for the all-electron periodic Coulomb matrix based on the Ewald summation combined with the Fourier-transformed Coulomb method. The short-range contributions involving compact densities are evaluated in…

Chemical Physics · Physics 2025-09-23 Hieu Q. Dinh , Adam Rettig , Xintian Feng , Joonho Lee

This paper presents an enhancement to the free surface lattice Boltzmann method (FSLBM) for the simulation of bubbly flows including rupture and breakup of bubbles. The FSLBM uses a volume of fluid approach to reduce the problem of a…

Computational Physics · Physics 2016-04-07 Daniela Anderl , Simon Bogner , Cornelia Rauh , Ulrich Rüde , Antonio Delgado

We propose an experimental scheme for studying the Fermi-Pasta-Ulam (FPU) phenomenon in a quantum mechanical regime using ultracold atoms. Specifically, we suggest and analyze a setup of one-dimensional Bose gases confined into an optical…

Quantum Gases · Physics 2014-05-07 Ippei Danshita , Rafael Hipolito , Vadim Oganesyan , Anatoli Polkovnikov

Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…

Computational Physics · Physics 2025-09-23 Federica Troni , Davide Grassano , Jayashree Narayan , Benoît Roux , Sara Bonella

This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…

Computational Engineering, Finance, and Science · Computer Science 2021-12-30 Jinao Zhang , Sunita Chauhan

Detailed detector simulation and reconstruction of physics objects at the LHC are very CPU intensive and hence time consuming due to the high energy and multiplicity of the Monte-Carlo events and the complexity of the detectors. We present…

Computational Physics · Physics 2007-05-23 Stephan Wynhoff

In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…

Computational Engineering, Finance, and Science · Computer Science 2016-08-18 Yongxing Wang , Peter Jimack , Mark Walkley

A simplified mathematical approach is presented and used to find a suitable free-field Lagrangian to complete previous work on constructing a gauge theory of CPT transformations. The new Lagrangian is a slight but important modification of…

General Physics · Physics 2018-07-24 Kurt Koltko

Given a time series vector, how can we efficiently compute a specified part of Fourier coefficients? Fast Fourier transform (FFT) is a widely used algorithm that computes the discrete Fourier transform in many machine learning applications.…

Machine Learning · Computer Science 2020-08-31 Yong-chan Park , Jun-Gi Jang , U Kang

Fourier-accelerated micromechanical homogenization has been developed and applied to a variety of problems, despite being prone to ringing artifacts. In addition, the majority of Fourier-accelerated solvers applied to FFT-accelerated…

Numerical Analysis · Mathematics 2022-07-22 Ali Falsafi , Richard J. Leute , Martin Ladecký , Till Junge

Coulomb and log-gases are exchangeable singular Boltzmann-Gibbs measures appearing in mathematical physics at many places, in particular in random matrix theory. We explore experimentally an efficient numerical method for simulating such…

Probability · Mathematics 2019-02-28 Djalil Chafaï , Grégoire Ferré

We present an efficient solver for massively-parallel direct numerical simulations of incompressible turbulent flows. The method uses a second-order, finite-volume pressure-correction scheme, where the pressure Poisson equation is solved…

Fluid Dynamics · Physics 2019-09-13 Pedro Costa

Conformal field theory (CFT) has been extremely successful in describing large-scale universal effects in one-dimensional (1D) systems at quantum critical points. Unfortunately, its applicability in condensed matter physics has been limited…

Strongly Correlated Electrons · Physics 2017-02-15 Jérôme Dubail , Jean-Marie Stéphan , Jacopo Viti , Pasquale Calabrese

Methods for efficient simulations of multidimensional quantum dynamics are essential for theoretical studies of chemical systems where quantum effects are important, such as those involving rearrangements of protons or electronic…

Quantum Physics · Physics 2021-12-16 Micheline B. Soley , Paul Bergold , Alex A. Gorodetsky , Victor S. Batista

Simulating strongly coupled gauge theories at finite temperature and density is a longstanding challenge in nuclear and high-energy physics that also has fundamental implications for condensed matter physics. In this work, we use minimally…