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We present a quantum computing algorithm for the smoothed particle hydrodynamics (SPH) method. We use a normalization procedure to encode the SPH operators and domain discretization in a quantum register. We then perform the SPH summation…
LiDAR-based 3D object detection presents significant challenges due to the inherent sparsity of LiDAR points. A common solution involves long-term temporal LiDAR data to densify the inputs. However, efficiently leveraging spatial-temporal…
We study numerical methods for dissipative particle dynamics (DPD), which is a system of stochastic differential equations and a popular stochastic momentum-conserving thermostat for simulating complex hydrodynamic behavior at mesoscales.…
We introduce a new computational method for embedding Lagrangian sink particles into an Eulerian calculation. Simulations of gravitational collapse or accretion generally produce regions whose density greatly exceeds the mean density in the…
An efficient numerical approach to equilibrium properties of strongly coupled systems which include a subsystem of fermionic quantum particles and a subsystem of classical particles is presented. It uses an improved path integral…
Smoothed Particle Hydrodynamics (SPH) is a ubiquitous numerical method for solving the fluid equations, and is prized for its conservation properties, natural adaptivity, and simplicity. We introduce the Sphenix SPH scheme, which was…
This paper presents a generalised and efficient wall boundary treatment in the smoothed particle hydrodynamics (SPH) method for 3-D complex and arbitrary geometries with single- and multi-phase flows to be executed on graphics processing…
We report a detailed study, using state-of-the-art simulation and theoretical methods, of the depletion potential between a pair of big hard spheres immersed in a reservoir of much smaller hard spheres, the size disparity being measured by…
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…
We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have…
We review existing SPH setup methods and outline their advantages, limitations and drawbacks. We present a new method for constructing initial conditions for smoothed particle hydrodynamics (SPH) simulations, which may also be of interest…
Dispersion of low-density rigid particles with complex geometries is ubiquitous in both natural and industrial environments. We show that while explicit methods for coupling the incompressible Navier-Stokes equations and Newton's equations…
We present a new simulation method to calculate the free energy and the chemical potential of hard particle systems. The method relies on the introduction of a parameter dependent potential to smoothly transform between the hard particle…
Specialized Monte Carlo methods are nowadays routinely employed, in combination with thermodynamic integration (TI), to locate phase boundaries of classical many-particle systems. This is especially useful for the fluid-solid transition,…
With the recent development of high-end LiDARs, more and more systems are able to continuously map the environment while moving and producing spatially redundant information. However, none of the previous approaches were able to effectively…
A detailed comparison between the Boubl\'ik-Mansoori-Carnahan-Starling-Leland (BMCSL)equation of state of hard-sphere mixtures is made with Molecular Dynamics (MD) simulations of the same compositions. The Lab\'ik and Smith simulation…
We present an improved method for computing incompressible viscous flow around suspended rigid particles using a fixed and uniform computational grid. The main idea is to incorporate Peskin's regularized delta function approach [Acta…
Hydrodynamical simulations of star formation often do not possess the dynamic range needed to fully resolve the build-up of individual stars and star clusters, and thus have to resort to subgrid models. A popular way to do this is by…
All-atom molecular dynamics has been recently proven a useful tool for the study of supramolecular polymers. While the high resolution offered by the atomistic models may allow for deep comprehension of the assembled structure, obtaining a…
Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means…