相关论文: Parallel computing for 4-atomic molecular dynamics…
A challenging and fundamental research problem is the better understanding and control of the turbulent transport of heat in present-day tokamak fusion experiments. Recent developments in numerical methods along with enormous gains in…
An efficient algorithm for calculating radiative transfer on massively parallel computers using domain decomposition is presented. The integral formulation of the transfer equation is used to divide the problem into a local but…
We address in this thesis the current need to design new parallel algorithms and tools that ease the development of geodynamic modelling applications that are suited for today's and tomorrow's hardware. We present (1) the MATLAB HPC…
We describe an algorithm for dynamic load balancing of geometrically parallelized synchronous Monte Carlo simulations of physical models. This algorithm is designed for a (heterogeneous) multiprocessor system of the MIMD type with…
Generalized sparse matrix-matrix multiplication is a key primitive for many high performance graph algorithms as well as some linear solvers such as multigrid. We present the first parallel algorithms that achieve increasing speedups for an…
The use of Euler-Lagrange methods on unstructured grids extends their application area to more versatile setups. However, the lack of a regular topology limits the scalability of distributed parallel methods, especially for routines that…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…
The Massive Parallel Computing (MPC) model gained popularity during the last decade and it is now seen as the standard model for processing large scale data. One significant shortcoming of the model is that it assumes to work on static…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
Big graphs (networks) arising in numerous application areas pose significant challenges for graph analysts as these graphs grow to billions of nodes and edges and are prohibitively large to fit in the main memory. Finding the number of…
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implementations using a double loop over particle pairs have…
Parallel algorithms for ab initio calculations of vibrations modes of solids are presented and implemented under PVM. Load balancing and communication problems are dealt with in order to increase parallelism efficiency. For accurate time…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still…
The Multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty Quantification (UQ) in Partial Differential Equation (PDE) models, combining model computations at different levels…
We introduce a data distribution scheme for $\mathcal{H}$-matrices and a distributed-memory algorithm for $\mathcal{H}$-matrix-vector multiplication. Our data distribution scheme avoids an expensive $\Omega(P^2)$ scheduling procedure used…
We develop a "semi-parallel" simulation technique suggested by Pretorius and Lehner, in which the simulation spacetime volume is divided into a large number of small 4-volumes which have only initial and final surfaces. Thus there is no…
High energy physics (HEP) experiments at the LHC generate data at a rate of $\mathcal{O}(10)$ Terabits per second. This data rate is expected to exponentially increase as experiments will be upgraded in the future to achieve higher…
These lecture notes are designed to accompany an imaginary, virtual, undergraduate, one or two semester course on fundamentals of Parallel Computing as well as to serve as background and reference for graduate courses on High-Performance…