Related papers: Efficient Parallel Algorithm for Statistical Ion T…
A new parallel algorithm utilizing partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent flow. The work is motivated by the…
Diffusion models have become a leading method for generative modeling of both image and scientific data. As these models are costly to train and \emph{evaluate}, reducing the inference cost for diffusion models remains a major goal.…
We perform a proof-of-concept implementation of the massively parallel algorithm (P.M. Lushnikov, Opt. Lett., v. 27, 939 (2002)) for simulation of dispersion-managed wavelength-division-multiplexed optical fiber systems. Linear scalability…
Sketches are probabilistic data structures that can provide approximate results within mathematically proven error bounds while using orders of magnitude less memory than traditional approaches. They are tailored for streaming data analysis…
We propose a parareal based time parallelization scheme in the phase-space for the particle-in-Fourier (PIF) discretization of the Vlasov-Poisson system used in kinetic plasma simulations. We use PIF with a coarse tolerance for the…
This article presents an automatic approach to quickly derive a good solution for hardware resource partition and task granularity for task-based parallel applications on heterogeneous many-core architectures. Our approach employs a…
The efficient calculation of rare-event kinetics in complex dynamical systems, such as the rate and pathways of ligand dissociation from a protein, is a generally unsolved problem. Markov state models can systematically integrate ensembles…
We present a shared memory implementation of a parallel algorithm, called delta-stepping, for solving the single source shortest path problem for directed and undirected graphs. In order to reduce synchronization costs we make some…
For computational fluid dynamics (CFD) applications with a large number of grid points/cells, parallel computing is a common efficient strategy to reduce the computational time. How to achieve the best performance in the modern…
Path Integral Molecular Dynamics (PIMD) is a well established simulation technique to compute exact equilibrium properties for a quantum system using classical trajectories in an extended phase space. Standard PIMD simulations are…
We present a computational modeling framework for data-driven simulations and analysis of infectious disease spread in large populations. For the purpose of efficient simulations, we devise a parallel solution algorithm targeting…
Motivated by the large-scale nature of modern aerospace engineering simulations, this paper presents a detailed description of distributed Operator Inference (dOpInf), a recently developed parallel algorithm designed to efficiently…
We present a new method for introducing stable non-equilibrium concentration gradients in molecular dynamics simulations of mixtures. This method extends earlier Reverse Non-Equilibrium Molecular Dynamics (RNEMD) methods which use kinetic…
In this paper we present results of using parallel supercomputers to simulate beam dynamics in next-generation high intensity ion linacs. Our approach uses a three-dimensional space charge calculation with six types of boundary conditions.…
The present paper describes a parallel unstructured-mesh Plasma simulation code based on Finite Volume method. The code dynamically refines and coarses mesh for accurate resolution of the different features regarding the electron density.…
Classical Molecular Dynamics (MD) simulations provide insight on the properties of many soft-matter systems. In some situations it is interesting to model the creation of chemical bonds, a process that is not part of the MD framework. In…
Parallel processing of information plays a critical role in accelerating computation. This includes quantum computers, where parallel processing of quantum information will play a critical role in practical quantum advantage. Here, we…
CFD users of supercomputers usually resort to rule-of-thumb methods to select the number of subdomains (partitions) when relying on MPI-based parallelization. One common approach is to set a minimum number of elements or cells per…
In this paper we consider the problem of identifying intersections between two sets of d-dimensional axis-parallel rectangles. This is a common problem that arises in many agent-based simulation studies, and is of central importance in the…
Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…