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The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems…
Gaussian fields (GFs) are frequently used in spatial statistics for their versatility. The associated computational cost can be a bottleneck, especially in realistic applications. It has been shown that computational efficiency can be…
Many computer vision and human-computer interaction applications developed in recent years need evaluating complex and continuous mathematical functions as an essential step toward proper operation. However, rigorous evaluation of this kind…
The fast multipole method (FMM) has received growing attention in the beam physics simulation. In this study, we formulate an interpolation-based FMM for the computation of the relativistic space-charge field. Different to the…
We introduce an extension of the particle-in-cell (PIC) method that captures the Landau collisional effects in the Vlasov-Maxwell-Landau equations. The method arises from a regularisation of the variational formulation of the Landau…
In this paper, we present a spherical Fast Multipole Method (sFMM) for ray tracing simulation of gravitational lensing (GL) on a curved sky. The sFMM is a non-trivial extension of the Fast Multiple Method (FMM) to sphere $\mathbb S^2$, and…
We present a scheme for numerical simulations of collisionless self-gravitating systems which directly integrates the Vlasov--Poisson equations in six-dimensional phase space. By the results from a suite of large-scale numerical…
In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD)…
The integral equation coarse-graining (IECG) approach is a promising high-level coarse-graining (CG) method for polymer melts, with variable resolution from soft spheres to multi CG sites, which preserves the structural and thermodynamical…
Fast Fourier Transform (FFT)-based solvers for the Poisson equation are highly efficient, exhibiting $O(N\log N)$ computational complexity and excellent parallelism. However, their application is typically restricted to simple, regular…
Much of the current focus in high performance computing (HPC) for computational fluid dynamics (CFD) deals with grid based methods. However, parallel implementations for new meshfree particle methods such as Smoothed Particle Hydrodynamics…
We present a GPU-accelerated cosmological simulation code, PhotoNs-GPU, based on algorithm of Particle Mesh Fast Multipole Method (PM-FMM), and focus on the GPU utilization and optimization. A proper interpolated method for truncated…
This paper proposes a new methodology to perform Bayesian inference for a class of multidimensional Cox processes in which the intensity function is piecewise constant. Poisson processes with piecewise constant intensity functions are…
We introduce a novel, efficient computational method, ZEUS, for numerical optimization, and provide an open-source implementation. It has four key ingredients: (1) particle swarm optimization (PSO), (2) the use of the…
Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accurately learning a CG force field remains a challenge. In this…
Different formulations of interfacial force have been adopted in phase-field-based lattice Boltzmann method for two-phase flows. Although they are identical mathematically, their numerical performances may be different due to truncation…
We present a way to combine Vlasov and two-fluid codes for the simulation of a collisionless plasma in large domains while keeping full information of the velocity distribution in localized areas of interest. This is made possible by…
Spectral methods are well suited for solving hydrodynamic problems in which the self-gravity of the flow needs to be considered. Because Poisson's equation is linear, the numerical solution for the gravitational potential for each…
Machine learning force fields possess unprecedented potential in achieving both accuracy and efficiency in molecular simulations. Nevertheless, their application in organic systems is often hindered by structural collapse during simulation…
This paper presents the benchmarking and scaling studies of a GPU accelerated three dimensional compressible magnetohydrodynamic code. The code is developed keeping an eye to explain the large and intermediate scale magnetic field…