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Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…

Path integral Monte Carlo (PIMC) simulations are used to calculate the momentum distribution of the homogeneous electron gas at finite temperature. This is done by calculating the off-diagonal elements of the real-space density matrix,…

Statistical Mechanics · Physics 2007-05-23 B. Militzer , E. L. Pollock , D. M. Ceperley

Thermodynamics of dissipative quantum systems with double-well potentials is studied by the path-integral Monte Carlo (PIMC) method without truncation to the two-state model. For efficient simulation at low temperatures, we develop a new…

Statistical Mechanics · Physics 2007-05-23 Takeshi Matsuo , Yuhei Natsume , Takeo Kato

We propose a novel approach for modeling chemical reactions within the particle-based Fokker-Planck framework for gas flow simulations which conserves mass, momentum, and energy while retaining the performance advantages of the…

Chemical Physics · Physics 2025-03-25 Leo Basov , Georgii Oblapenko , Martin Grabe

A new approach to simulating rotational cooling using a direct simulation Monte Carlo (DSMC) method is described and applied to the rotational cooling of ammonia seeded into a helium supersonic jet. The method makes use of ab initio…

Chemical Physics · Physics 2015-11-25 O. Schullian , J. Loreau , N. Vaeck , A. van der Avoird , B. R. Heazlewood , C. J. Rennick , T. P. Softley

We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core…

Materials Science · Physics 2012-03-22 Kevin Driver , Burkhard Militzer

The present study employs the Direct Simulation Monte Carlo (DSMC) method, a widely used numerical method for studying non-continuum flows, to investigate the flow characteristics of a chemically reacting hypersonic flow over a…

Fluid Dynamics · Physics 2021-12-01 Arjun Singh

Many modern production and measurement facilities incorporate multiphase systems at low pressures. In this region of flows at small, non-zero Knudsen- and low Mach numbers the classical mesoscopic Monte Carlo methods become increasingly…

Fluid Dynamics · Physics 2015-09-10 S. Schmieschek , D. K. N. Sinz , F. Keller , U. Nieken , J. Harting

The self-excited spanwise homogeneous perturbations arising in shock-wave/boundary-layer interaction (SWBLI) system formed in a hypersonic flow of molecular nitrogen over a double wedge are investigated using the kinetic Direct Simulation…

Fluid Dynamics · Physics 2021-01-12 Saurabh S. Sawant , Ozgur Tumuklu , Vassilis Theofilis , Deborah A. Levin

Scientific applications often contain large, computationally-intensive, and irregular parallel loops or tasks that exhibit stochastic characteristics. Applications may suffer from load imbalance during their execution on high-performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-16 Ali Mohammed , Ahmed Eleliemy , Florina M. Ciorba , Franziska Kasielke , Ioana Banicescu

In plasma edge simulations, the behavior of neutral particles is often described by a Boltzmann--BGK equation. Solving this kinetic equation and estimating the moments of its solution are essential tasks, typically carried out using Monte…

Numerical Analysis · Mathematics 2025-12-30 Zhirui Tang , Julian Koellermeier , Emil Løvbak , Giovanni Samaey

Parallelization is a necessity for large-scale simulations due to the amount of data processed. In this article we investigate different load balancing methods using Vlasiator, a global magnetospheric simulation as our case study. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-28 Leo Kotipalo , Markus Battarbee , Yann Pfau-Kempf , Vertti Tarvus , Minna Palmroth

We implemented a fast Reciprocal Monte Carlo algorithm, to accurately solve radiative heat transfer in turbulent flows of non-grey participating media that can be coupled to fully resolved turbulent flows, namely to Direct Numerical…

Computational Engineering, Finance, and Science · Computer Science 2019-05-21 Simone Silvestri , Rene Pecnik

This work is devoted to the thermodynamics of high-temperature dense hydrogen plasmas in the pressure region between $10^{-1}$ and $10^2$ Mbar. In particular we present for this region results of extensive calculations based on a recently…

Plasma Physics · Physics 2009-11-07 V. S. Filinov , M. Bonitz , W. Ebeling , V. E. Fortov

High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…

Plasma Physics · Physics 2025-10-14 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

A macroscopic mesoscopic, deterministic stochastic coupling strategy is proposed to accelerate the direct simulation Monte Carlo (DSMC) method for chemical reaction. First, a macroscopic synthetic equation is formulated by integrating…

Computational Physics · Physics 2026-05-14 Hong Deng , Liyan Luo , Lei Wu

Conventional approaches for simulating steady-state distributions of particles under diffusive and advective transport at high P\'eclet numbers involve solving the diffusion and advection equations in at least two dimensions. Here, we…

Due to a hard dependency between time steps, large-scale simulations of gas using the Direct Simulation Monte Carlo (DSMC) method proceed at the pace of the slowest processor. Scalability is therefore achievable only by ensuring that the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-19 William McDoniel , Paolo Bientinesi

Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions of the simulation domain. The non-matching properties of…

The Direct Simulation Monte Carlo (DSMC) method was widely used to simulate low density gas flows with large Knudsen numbers. However, DSMC encounters limitations in the regime of lower Knudsen numbers (Kn<0.1). In such cases, approaches…