Related papers: Poster on MPI application in Computational Fluid D…
A new parallel computing framework has been developed to use with general-purpose radiation transport codes. The framework was implemented as a C++ module that uses MPI for message passing. The module is significantly independent of…
Mode Division Multiplexing (MDM) is a technique used over the past decade in Silicon Photonics (SiPh) to incorporate more data into communication links by employing higher-order transverse electric or transverse magnetic modes. MDM was…
An overview of computational methods to describe high-dimensional potential energy surfaces suitable for atomistic simulations is given. Particular emphasis is put on accuracy, computability, transferability and extensibility of the methods…
The digitization of the world has also led to a digitization of communication processes. Traditional research methods fall short in understanding communication in digital worlds as the scope has become too large in volume, variety, and…
In the proceedings of this, and of several recent close binary conferences, there have been several contributions describing smoothed particle hydrodynamics simulations of accretion disks. It is apposite therefore to review the numerical…
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic…
This paper presents our work on developing parallel computational methods for two-phase flow on modern parallel computers, where techniques for linear solvers and nonlinear methods are studied and the standard and inexact Newton methods are…
We consider concepts centered around modal analysis, data science, network science, and machine learning to reveal the essential dynamics from high-dimensional fluid flow data and operators. The presentation of the material herein is…
Molecular Property Prediction (MPP) plays a pivotal role across diverse domains, spanning drug discovery, material science, and environmental chemistry. Fueled by the exponential growth of chemical data and the evolution of artificial…
MPI derived datatypes are an abstraction that simplifies handling of non-contiguous data in MPI applications. These datatypes are recursively constructed at runtime from primitive Named Types defined in the MPI standard. More recently, the…
Network library APIs have historically been developed with the emphasis on data movement, placement, and communication semantics. Many communication semantics are available across a large variety of network libraries, such as send-receive,…
Computational fluid dynamics (CFD) requires a vast amount of compute cycles on contemporary large-scale parallel computers. Hence, performance optimization is a pivotal activity in this field of computational science. Not only does it…
Advances in detectors and computational technologies provide new opportunities for applied research and the fundamental sciences. Concurrently, dramatic increases in the three Vs (Volume, Velocity, and Variety) of experimental data and the…
In this relation I present a technique of construction and fast evaluation of a family of cubic polynomials for analytic smoothing and graphical rendering of particles trajectories for flows in a generic geometry. The principal result of…
Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
We present a new scalable algorithm for short-range molecular dynamics simulations on distributed memory MIMD multicomputer based on a message-passing multi-cell approach. We have implemented the algorithm on the Connection Machine 5 (CM-5)…
Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…
Upcoming HPC clusters will feature hybrid memories and storage devices per compute node. In this work, we propose to use the MPI one-sided communication model and MPI windows as unique interface for programming memory and storage. We…
We present a multiparticle collision dynamics (MPC) implementation of layered immiscible fluids $A$ and $B$ of different shear viscosities separated by planar interfaces. The simulated flow profile for imposed steady shear motion and the…