Related papers: Partitioning 3D space for parallel many-particle s…
This report discusses the implementation of two parallel algorithms on a distributed memory system for studying vortex dynamics in type-II superconductors. These algorithms are the same as that implemented for classical molecular dynamics…
Variational Quantum Circuits (VQC) are promising models for quantum machine learning, but standard monolithic architectures face an expressivity--trainability dilemma: small circuits can be under-parameterized, while larger circuits are…
The simulation of the physical movement of multi-body systems at an atomistic level, with forces calculated from a quantum mechanical description of the electrons, motivates a graph partitioning problem studied in this article. Several…
Two successful approaches for the segmentation of biomedical images are (1) the selection of segment candidates from a merge-tree, and (2) the clustering of small superpixels by solving a Multi-Cut problem. In this paper, we introduce a…
{\sc top-c} (Task Oriented Parallel C) is a freely available package for parallel computing. It is designed to be easy to learn and to have good tolerance for the high latencies that are common in commodity networks of computers. It has…
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…
A novel adaptive technique for electromagnetic Particle In Cell (PIC) plasma simulations is presented here. Two main issues are identified in designing adaptive techniques for PIC simulation: first, the choice of the size of the particle…
We developed a novel reduced-order multi-scale method for solving large time-domain wavefield simulation problems. Our algorithm consists of two main stages. During the first "off-line" stage the fine-grid operator (of the graph Laplacian…
A parallel 2D+1 split-step Fourier method with Crank-Nicholson scheme running on multi-core shared memory architectures is developed to study the propagation of ultra-short high-intensity laser pulses in air. The parallel method achieves a…
In the first work of this series [physics/0204035] it was shown that the conformational space of a molecule could be described to a fair degree of accuracy by means of a central hyperplane arrangement. The hyperplanes divide the espace into…
We study a graph partitioning problem motivated by the simulation of the physical movement of multi-body systems on an atomistic level, where the forces are calculated from a quantum mechanical description of the electrons. Several advanced…
Labelling data is expensive and time consuming especially for domains such as medical imaging that contain volumetric imaging data and require expert knowledge. Exploiting a larger pool of labeled data available across multiple centers,…
Efficient sampling of many-dimensional and multimodal density functions is a task of great interest in many research fields. We describe an algorithm that allows parallelizing inherently serial Markov chain Monte Carlo (MCMC) sampling by…
The partitioning of small molecules in cell membranes---a key parameter for pharmaceutical applications---typically relies on experimentally-available bulk partitioning coefficients. Computer simulations provide a structural resolution of…
This paper presents novel approaches to parallelizing particle interactions on a GPU when there are few particles per cell and the interactions are limited by a cutoff distance. The paper surveys classical algorithms and then introduces two…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
This paper shows how partial differential problems can be solved thanks to cellular computing and an adaptation of the Least Squares Finite Elements Method. As cellular computing can be implemented on distributed parallel architectures,…
The modified Born series (MBS) is a fast and accurate method for simulating wave propagation in complex structures. In the current implementation of the MBS, the simulation size is limited by the working memory of a single computer or…
Distributed quantum computing is motivated by the difficulty in building large-scale, individual quantum computers. To solve that problem, a large quantum circuit is partitioned and distributed to small quantum computers for execution.…
Scaling quantum computers, i.e., quantum processing units (QPUs) to enable the execution of large quantum circuits is a major challenge, especially for applications that should provide a quantum advantage over classical algorithms. One…