Related papers: Poster on MPI application in Computational Fluid D…
We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce…
Recent years have witnessed the fast development of machine learning potentials (MLPs) and their widespread applications in chemistry, physics, and material science. By fitting discrete ab initio data faithfully to continuous and…
We study parallel particle-in-cell (PIC) methods for low-temperature plasmas (LTPs), which discretize kinetic formulations that capture the time evolution of the probability density function of particles as a function of position and…
Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…
Particle methods are less computationally efficient than grid based numerical solution of the Navier Stokes equation. However, they have important advantages including rigorous mass conservation, momentum conservation and isotropy. In…
Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in…
Particle collisions are the primary mechanism of inter-particle momentum and energy exchange for dense particle-laden flow. Accurate approximation of this collision operator in four-way coupled Euler-Lagrange approaches remains challenging…
Multi-party computing (MPC) has been gaining popularity as a secure computing model over the past few years. However, prior works have demonstrated that MPC protocols still pay substantial performance penalties compared to plaintext,…
Simple and easy to implement testbeds are needed to further advance molecular communication research. To this end, this paper presents an in-vessel molecular communication testbed using magnetic nanoparticles dispersed in an aqueous…
Computer simulations of plasmas are relevant nowadays, because it helps us understand physical processes taking place in the sun and other stellar objects. We developed a program called PCell which is intended for displaying the evolution…
As the most important solvent, water has been at the center of interest since the advent of computer simulations. While early molecular dynamics and Monte Carlo simulations had to make use of simple model potentials to describe the atomic…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
Quantum Computing promises accelerated simulation of certain classes of problems, in particular in plasma physics. Given the nascent interest in applying quantum computing techniques to study plasma systems, a compendium of the relevant…
The special computational challenges of simulating 3-D hydrodynamics in deep stellar interiors are discussed, and numerical algorithmic responses described. Results of recent simulations carried out at scale on the NSF's Blue Waters machine…
This paper considers particle propagation in a cylindrical molecular communication channel, e.g. a simplified model of a blood vessel. Emitted particles are influenced by diffusion, flow, and a vertical force induced e.g. by gravity or…
Particle tracking has several important applications for solute transport studies in aquifer systems. Travel time distribution at observation points, particle coordinates in time and streamlines are some practical results providing…
Modern heterogeneous supercomputing systems are comprised of CPUs, GPUs, and high-speed network interconnects. Communication libraries supporting efficient data transfers involving memory buffers from the GPU memory typically require the…
In this paper, a novel fluid dynamics-based approach to channel modeling, which considers liquid droplets as information carriers instead of molecules in the molecular communication (MC) channel, is proposed for practical macroscale MC…
The application of psychophysiological in human-computer interaction is a growing field with significant potential for future smart personalised systems. Working in this emerging field requires comprehension of an array of physiological…
High-performance computing is used for diverse simulations, some of which parallelize over the Message Passing Interface (MPI) with ease, whilst others may have challenges related to uniform balancing of computational load and communication…