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Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…
We have obtained an electromagnetic PIC (EM-PIC) algorithm based on time-space-extended particle in cell model. In this model particles are shaped objects extended over time and space around Lagrangian markers. Sources carried by these…
The present paper introduces stochastic velocity as improvement for moving particle semi-implicit (MPS) method. This improvement is to overcome energy loss caused by numerical dissipation in the basic MPS that brings about rapid decay of…
Hard spheres are arguably one of the most fundamental model systems in soft matter physics, and hence a common topic of simulation studies. Event-driven simulation methods provide an efficient method for studying the phase behavior and…
We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…
Smoothed Particle Hydrodynamics (SPH) methods are advantageous in simulations of fluids in domains with free boundary. Special SPH methods have also been developed to simulate solids. However, there are situations where the matter behaves…
We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and…
Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…
Particle-in-cell (PIC) simulations are widely used as a tool to investigate instabilities that develop between a collisionless plasma and beams of charged particles. However, even on contemporary supercomputers, it is not always possible to…
Starting from the single graphics processing unit (GPU) version of the Smoothed Particle Hydrodynamics (SPH) code DualSPHysics, a multi-GPU SPH program is developed for free-surface flows. The approach is based on a spatial decomposition…
Physics-based simulation is essential for developing and evaluating robot manipulation policies, particularly in scenarios involving deformable objects and complex contact interactions. However, existing simulators often struggle to balance…
We present the formulation, algorithm and numerical tests of the magnetohydrodynamic-particle-in-cell (MHD-PIC) method with particles treated under the guiding center approximation, which we term the MHD-gPIC method, and it is implemented…
Acceleration processes that occur in astrophysical plasmas produce cosmic rays that are observed on Earth. To study particle acceleration, fully-kinetic particle-in-cell (PIC) simulations are often used as they can unveil the microphysics…
In this paper, we develop a novel numerical framework, namely the stochastic interacting particle-field method with particle-in-cell acceleration (SIPF-PIC), for the efficient simulation of the three-dimensional (3D) parabolic-parabolic…
Particle swam optimization (PSO) is a popular stochastic optimization method that has found wide applications in diverse fields. However, PSO suffers from high computational complexity and slow convergence speed. High computational…
We present an acceleration method for sequences of large-scale linear systems, such as the ones arising from the numerical solution of time-dependent partial differential equations coupled with algebraic constraints. We discuss different…
High-power magnetically shielded Hall thrusters have recently emerged to meet the needs of the next-generation space missions. Even though a few such thrusters are currently undergoing their late-stage development campaigns, many unanswered…
A surrogate model for particle-in-cell plasma simulations based on a graph neural network is presented. The graph is constructed in such a way as to enable the representation of electromagnetic fields on a fixed spatial grid. The model is…
We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time retains the explicit computational cycle and conserves…
Astrophysical shocks are often studied in the high Mach number limit but weakly compressive fast shocks can occur in magnetic reconnection outflows and are considered to be a site of particle energization in solar flares. Here we study the…