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We present a multi-block finite-difference solver for massively parallel Direct Numerical Simulations (DNS) of incompressible flows. The algorithm combines the versatility of a multi-block solver with the method of eigenfunctions…
Modeling of spherical metasurfaces using Generalized Sheet Transition Conditions (GSTCs) and Vector Wave Function (VWF) expansion is presented. The fields internal and external to the metasurface is expanded in terms of spherical VWFs and…
I present a method for the fast convolution of a model galaxy profile by a point-spread function (PSF) model represented as a pixel grid. The method relies upon three observations: First, most simple radial galaxy profiles of common…
We introduce a GPU-accelerated implementation of time-dependent density functional theory with the minimal auxiliary basis approach (TDDFT-risp) in GPU4PySCF, together with large system demonstrations carried out using the Tamm--Dancoff…
Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for non-collective excited states. The delta…
It is well known since 1960s that by exploring the tensor product structure of the discrete Laplacian on Cartesian meshes, one can develop a simple direct Poisson solver with an $\mathcal O(N^{\frac{d+1}d})$ complexity in d-dimension, where…
Cyclostationary analysis is widely used in signal processing, particularly in the analysis of human-made signals, and spectral correlation density (SCD) is often used to characterise cyclostationarity. Unfortunately, for real-time…
To simulate the dynamics of fluid with polydisperse particles on macroscale level, one has to solve hydrodynamic equations with several relaxation terms, representing momentum transfer from fluid to particles and vice versa. For small…
A new flow solver scalable on multiple Graphics Processing Units (GPUs) for direct numerical simulation of wall-bounded incompressible flow is presented. This solver utilizes a previously reported work (J. Comp. Physics, vol. 352 (2018),…
The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…
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…
Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion \Delta Self-Consistent…
Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very successful approach to numerically solving the SCFT set of…
We present and test a code for two-fluid simulations of galaxy formation, one of the fluids being collision-less. The hydrodynamical evolution is solved through the SPH method while gravitational forces are calculated using a tree method.…
An expansion of a density field or particle distribution in basis functions which solve the Poisson equation both provides an easily parallelized n-body force algorithm and simplifies perturbation theories. The expansion converges quickly…
Accurate simulation to dynamics of axial piston pump (APP) is essential for its design, manufacture and maintenance. However, limited by computation capacity of CPU device and traditional solvers, conventional iteration methods are…
For problems in astrophysics, planetary science and beyond, numerical simulations are often limited to simulating fewer particles than in the real system. To model collisions, the simulated particles (aka superparticles) need to be inflated…
This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…
Scale-resolving simulations of high Reynolds number incompressible flows are often limited by the Courant-Friedrichs-Lewy (CFL) stability restriction imposed by explicit time-stepping schemes, resulting in small time step sizes and long…
In a recent work, we presented the first application of the Poisson-Wiseman-Anderson method of `matched expansions' to compute the self-force acting on a point particle moving in a curved spacetime. The method employs two expansions for the…