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The Kinetic Monte Carlo (KMC) method has become an important tool for examination of phenomena like surface diffusion and thin film growth because of its ability to carry out simulations for time scales that are relevant to experiments. But…

Materials Science · Physics 2007-05-23 Talat S. Rahman , Abdelkader Kara , Altaf Karim , Oleg Trushin

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

With gravity, ionization, and radiation being considered, we perform 2.5D compressible resistive MHD simulations of chromospheric magnetic reconnection using the CIP-MOCCT scheme. The temperature distribution of the quiet-Sun atmospheric…

Solar and Stellar Astrophysics · Physics 2015-03-17 R. L. Jiang , C. Fang , P. F. Chen

We calculate the melting line of atomic hydrogen and deuterium up to 900 GPa with path-integral Monte Carlo using a machine-learned interatomic potential. We improve upon previous simulations of melting by treating the electrons with…

Materials Science · Physics 2024-10-01 Kevin K. Ly , David M. Ceperley

A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating dense fluid flows at molecular scales. The I-DSMC algorithm eliminates all grid…

Statistical Mechanics · Physics 2015-05-13 A. Donev , B. J. Alder , A. L. Garcia

We study collisional rethermalization in ultracold dipolar thermal gases, made intricate by their anisotropic differential cross sections. Theoretical methods are provided to derive the number of collisions per rethermalization, which for…

Atomic Physics · Physics 2021-06-30 Reuben R. W. Wang , John L. Bohn

Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…

Materials Science · Physics 2025-01-08 Alfonso Annarelli , Dario Alfè , Andrea Zen

We study a homogeneously driven granular gas of inelastic hard particles with rough surfaces subject to Coulomb friction. The stationary state as well as the full dynamic evolution of the translational and rotational granular temperatures…

Soft Condensed Matter · Physics 2015-06-24 Olaf Herbst , Raffaele Cafiero , Annette Zippelius , Hans Jürgen Herrmann , Stefan Luding

A novel hybrid Monte Carlo transport scheme is demonstrated in a scene with solar illumination, scattering and absorbing 2D atmosphere, a textured reflecting mountain, and a small detector located in the sky (mounted on a satellite or a…

Mathematical Physics · Physics 2015-05-28 Guillaume Bal , Anthony Davis , Ian Langmore

Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization…

Soft Condensed Matter · Physics 2015-03-30 Chien-Cheng Huang , Anoop Varghese , Gerhard Gompper , Roland G. Winkler

The event topology in relativistic heavy ion collisions is determined by various multi-particle production mechanisms. The simultaneous model treatment of different collective nuclear effects at high energies (such as a hard multi-parton…

High Energy Physics - Phenomenology · Physics 2011-03-23 I. P. Lokhtin , A. V. Belyaev , L. V. Malinina , S. V. Petrushanko , A. M. Snigirev , I. Arsene , E. E. Zabrodin

We present the implementation and application of a multiphysics simulation technique to carrier dynamics under electromagnetic excitation in supported two-dimensional electronic systems. The technique combines ensemble Monte Carlo (EMC) for…

Mesoscale and Nanoscale Physics · Physics 2014-05-21 N. Sule , K. J. Willis , S. C. Hagness , I. Knezevic

We propose a theoretical Hugoniot obtained by combining results for the equation of state (EOS) from the Direct Path Integral Monte Carlo technique (DPIMC) and those from Reaction Ensemble Monte Carlo (REMC) simulations. The main idea of…

Kinetic equations model the position-velocity distribution of particles subject to transport and collision effects. Under a diffusive scaling, these combined effects converge to a diffusion equation for the position density in the limit of…

Numerical Analysis · Mathematics 2023-07-26 Emil Løvbak , Giovanni Samaey

Warm dense matter (WDM) is an active field of research, with applications ranging from astrophysics to inertial confinement fusion. Ionization degree and continuum lowering are important quantities to understand how materials behave under…

The status of CMS jet simulations and physics analysis in heavy ion collisions is presented. Jet reconstruction and high transverse momentum particle tracking in the high multiplicity environment of heavy ion collisions at the LHC using the…

High Energy Physics - Phenomenology · Physics 2015-06-25 Igor Lokhtin

Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…

Statistical Mechanics · Physics 2013-01-23 Ike Q. Sikakana

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

Combustion in automotive and aerospace applications employing diesel, gas turbine and liquid rocket engines is preceded by injection and mixing of fuel and oxidizer at high pressures, often exceeding mixture critical values. Experimental…

Fluid Dynamics · Physics 2019-07-30 Nek Sharan , Josette Bellan

Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equations of State (EOSs)…

Strongly Correlated Electrons · Physics 2018-01-17 Guglielmo Mazzola , Ravit Helled , Sandro Sorella