Computational Physics
A PCA-based, machine learning version of the SPH method is proposed. In the present scheme, the smoothing tensor is computed to have their eigenvalues proportional to the covariance's principal components, using a modified octree data…
The Kirchhoff integral is a fundamental integral in scattering theory, appearing in both the Kirchhoff approximation, as well as the small slope approximation. In this work, a functional Taylor series approximation to…
We present new approaches for solving constrained multicomponent nonlinear Schr\"odinger equations in arbitrary dimensions. The idea is to introduce an artificial time and solve an extended damped second order dynamic system whose…
Quantum Monte Carlo (QMC) forces have been studied extensively in recent decades because of their importance with spectroscopic observables and geometry optimization. Here we benchmark the accuracy and statistical cost of QMC forces. The…
Magnetization dynamics in magnetic materials is modeled by the Landau-Lifshitz-Gilbert (LLG) equation. In the LLG equation, the length of magnetization is conserved and the system energy is dissipative. Implicit and semi-implicit schemes…
We present a high-energy neutrino event generator, called LeptonInjector, alongside an event weighter, called LeptonWeighter. Both are designed for large-volume Cherenkov neutrino telescopes such as IceCube. The neutrino event generator…
In the fusion community, the use of high performance computing (HPC) has been mostly dominated by heavy-duty plasma simulations, such as those based on particle-in-cell and gyrokinetic codes. However, there has been a growing interest in…
The analysis of the results of a depletion code is often considered a tedious and delicate task for it requires both the processing of large volume of information (the time dependent composition of up to thousands isomeric states) and an…
Surface integral equation (SIE) methods are of great interest for the numerical solution of Maxwell's equations in the presence of homogeneous objects. However, existing SIE algorithms have limitations, either in terms of scalability,…
Contemporary high-resolution sonar systems use broadband pulses and long arrays to achieve high resolution. It is important to understand effects that high-resolution sonar systems might have on quantitative measures of the scattered field…
This work outlines a new three-dimensional diffuse interface finite volume method for the simulation of multiple solid and fluid components featuring large deformations, sliding and void opening. This is achieved by extending an existing…
This paper proposes an approach combining the Volume Penalization (VP) and the the Lattice Boltzmann method (LBM) to compute fluid structure interaction involving rigid bodies. The method consists in adding a force term in the LBM…
In this paper, we perform a more general analysis on the discrete effects of some boundary schemes of the popular one- to three-dimensional DnQq multiple-relaxation-time lattice Boltzmann model for convection-diffusion equation (CDE).…
For machine learning of interatomic potentials a scalable sparse Gaussian process regression formalism is introduced with a data-efficient on-the-fly adaptive sampling algorithm. With this approach, the computational cost is effectively…
We study the applicability of a Deep Neural Network (DNN) approach to simulate one-dimensional non-relativistic fluid dynamics. Numerical fluid dynamical calculations are used to generate training data-sets corresponding to a broad range of…
High-fidelity modeling of blood flow is crucial for enhancing our understanding of cardiovascular disease. Despite significant advances in computational and experimental characterization of blood flow, the knowledge that we can acquire from…
This paper represents the first investigation of the suitability and performance of Graphcore Intelligence Processing Units (IPUs) for deep learning applications in cosmology. It presents the benchmark between a Nvidia V100 GPU and a…
This paper proposes a comparison of four popular interface capturing methods : the volume of fluid (VOF), the standard level set (SLS), the accurate conservative level set (ACLS) and the coupled level set and volume of fluid (CLSVOF). All…
A high-order Flux reconstruction implementation of the hyperbolic formulation for the incompressible Navier-Stokes equation is presented. The governing equations employ Chorin's classical artificial compressibility (AC) formulation cast in…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…