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Periodic Boundary Conditions and the Error-controlled Fast Multipole Method

Periodic Boundary Conditions and the Error-controlled Fast Multipole Method PDF Author: Ivo Kabadshow
Publisher: Forschungszentrum Jülich
ISBN: 3893367705
Category :
Languages : en
Pages : 143

Book Description


Periodic Boundary Conditions and the Error-controlled Fast Multipole Method

Periodic Boundary Conditions and the Error-controlled Fast Multipole Method PDF Author: Ivo Kabadshow
Publisher: Forschungszentrum Jülich
ISBN: 3893367705
Category :
Languages : en
Pages : 143

Book Description


Fast Methods for Long-range Interactions in Complex Systems

Fast Methods for Long-range Interactions in Complex Systems PDF Author: Godehard Sutmann
Publisher: Forschungszentrum Jülich
ISBN: 3893367144
Category :
Languages : en
Pages : 179

Book Description


High-resolution Simulations of Strongly Coupled Coulomb Systems with a Parallel Tree Code

High-resolution Simulations of Strongly Coupled Coulomb Systems with a Parallel Tree Code PDF Author: Mathias Winkel
Publisher: Forschungszentrum Jülich
ISBN: 3893369015
Category :
Languages : en
Pages : 221

Book Description


Error Control and Adaptivity in Scientific Computing

Error Control and Adaptivity in Scientific Computing PDF Author: Haydar Bulgak
Publisher: Springer Science & Business Media
ISBN: 9780792358091
Category : Mathematics
Languages : en
Pages : 376

Book Description
One of the main ways by which we can understand complex processes is to create computerised numerical simulation models of them. Modern simulation tools are not used only by experts, however, and reliability has therefore become an important issue, meaning that it is not sufficient for a simulation package merely to print out some numbers, claiming them to be the desired results. An estimate of the associated error is also needed. The errors may derive from many sources: errors in the model, errors in discretization, rounding errors, etc. Unfortunately, this situation does not obtain for current packages and there is a great deal of room for improvement. Only if the error can be estimated is it possible to do something to reduce it. The contributions in this book cover many aspects of the subject, the main topics being error estimates and error control in numerical linear algebra algorithms (closely related to the concept of condition numbers), interval arithmetic and adaptivity for continuous models.

Computational Science – ICCS 2020

Computational Science – ICCS 2020 PDF Author: Valeria V. Krzhizhanovskaya
Publisher: Springer Nature
ISBN: 3030504360
Category : Computers
Languages : en
Pages : 786

Book Description
The seven-volume set LNCS 12137, 12138, 12139, 12140, 12141, 12142, and 12143 constitutes the proceedings of the 20th International Conference on Computational Science, ICCS 2020, held in Amsterdam, The Netherlands, in June 2020.* The total of 101 papers and 248 workshop papers presented in this book set were carefully reviewed and selected from 719 submissions (230 submissions to the main track and 489 submissions to the workshops). The papers were organized in topical sections named: Part I: ICCS Main Track Part II: ICCS Main Track Part III: Advances in High-Performance Computational Earth Sciences: Applications and Frameworks; Agent-Based Simulations, Adaptive Algorithms and Solvers; Applications of Computational Methods in Artificial Intelligence and Machine Learning; Biomedical and Bioinformatics Challenges for Computer Science Part IV: Classifier Learning from Difficult Data; Complex Social Systems through the Lens of Computational Science; Computational Health; Computational Methods for Emerging Problems in (Dis-)Information Analysis Part V: Computational Optimization, Modelling and Simulation; Computational Science in IoT and Smart Systems; Computer Graphics, Image Processing and Artificial Intelligence Part VI: Data Driven Computational Sciences; Machine Learning and Data Assimilation for Dynamical Systems; Meshfree Methods in Computational Sciences; Multiscale Modelling and Simulation; Quantum Computing Workshop Part VII: Simulations of Flow and Transport: Modeling, Algorithms and Computation; Smart Systems: Bringing Together Computer Vision, Sensor Networks and Machine Learning; Software Engineering for Computational Science; Solving Problems with Uncertainties; Teaching Computational Science; UNcErtainty QUantIficatiOn for ComputationAl modeLs *The conference was canceled due to the COVID-19 pandemic. Chapter ‘APE: A Command-Line Tool and API for Automated Workflow Composition’ is available open access under a Creative Commons Attribution 4.0 International License via link.springer.com.

Software for Exascale Computing - SPPEXA 2013-2015

Software for Exascale Computing - SPPEXA 2013-2015 PDF Author: Hans-Joachim Bungartz
Publisher: Springer
ISBN: 3319405284
Category : Computers
Languages : en
Pages : 557

Book Description
The research and its outcomes presented in this collection focus on various aspects of high-performance computing (HPC) software and its development which is confronted with various challenges as today's supercomputer technology heads towards exascale computing. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The collection thereby highlights pioneering research findings as well as innovative concepts in exascale software development that have been conducted under the umbrella of the priority programme "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) and that have been presented at the SPPEXA Symposium, Jan 25-27 2016, in Munich. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.

Generalized Algebraic Kernels and Multipole Expansions for Massively Parallel Vortex Particle Methods

Generalized Algebraic Kernels and Multipole Expansions for Massively Parallel Vortex Particle Methods PDF Author: Robert Speck
Publisher: Forschungszentrum Jülich
ISBN: 3893367330
Category :
Languages : en
Pages : 141

Book Description


Recent Trends in Computational Engineering - CE2014

Recent Trends in Computational Engineering - CE2014 PDF Author: Miriam Mehl
Publisher: Springer
ISBN: 3319229974
Category : Computers
Languages : en
Pages : 324

Book Description
This book presents selected papers from the 3rd International Workshop on Computational Engineering held in Stuttgart from October 6 to 10, 2014, bringing together innovative contributions from related fields with computer science and mathematics as an important technical basis among others. The workshop discussed the state of the art and the further evolution of numerical techniques for simulation in engineering and science. We focus on current trends in numerical simulation in science and engineering, new requirements arising from rapidly increasing parallelism in computer architectures, and novel mathematical approaches. Accordingly, the chapters of the book particularly focus on parallel algorithms and performance optimization, coupled systems, and complex applications and optimization.

Multiscale Modelling Methods for Applications in Materials Science

Multiscale Modelling Methods for Applications in Materials Science PDF Author: Ivan Kondov
Publisher: Forschungszentrum Jülich
ISBN: 389336899X
Category :
Languages : en
Pages : 335

Book Description


Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures

Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures PDF Author: Sonja Holl
Publisher: Forschungszentrum Jülich
ISBN: 389336949X
Category :
Languages : en
Pages : 207

Book Description
Scientific workflows have emerged as a key technology that assists scientists with the design, management, execution, sharing and reuse of in silico experiments. Workflow management systems simplify the management of scientific workflows by providing graphical interfaces for their development, monitoring and analysis. Nowadays, e-Science combines such workflow management systems with large-scale data and computing resources into complex research infrastructures. For instance, e-Science allows the conveyance of best practice research in collaborations by providing workflow repositories, which facilitate the sharing and reuse of scientific workflows. However, scientists are still faced with different limitations while reusing workflows. One of the most common challenges they meet is the need to select appropriate applications and their individual execution parameters. If scientists do not want to rely on default or experience-based parameters, the best-effort option is to test different workflow set-ups using either trial and error approaches or parameter sweeps. Both methods may be inefficient or time consuming respectively, especially when tuning a large number of parameters. Therefore, scientists require an effective and efficient mechanism that automatically tests different workflow set-ups in an intelligent way and will help them to improve their scientific results. This thesis addresses the limitation described above by defining and implementing an approach for the optimization of scientific workflows. In the course of this work, scientists’ needs are investigated and requirements are formulated resulting in an appropriate optimization concept. In a following step, this concept is prototypically implemented by extending a workflow management system with an optimization framework, including general mechanisms required to conduct workflow optimization. As optimization is an ongoing research topic, different algorithms are provided by pluggable extensions (plugins) that can be loosely coupled with the framework, resulting in a generic and quickly extendable system. In this thesis, an exemplary plugin is introduced which applies a Genetic Algorithm for parameter optimization. In order to accelerate and therefore make workflow optimization feasible at all, e-Science infrastructures are utilized for the parallel execution of scientific workflows. This is empowered by additional extensions enabling the execution of applications and workflows on distributed computing resources. The actual implementation and therewith the general approach of workflow optimization is experimentally verified by four use cases in the life science domain. All workflows were significantly improved, which demonstrates the advantage of the proposed workflow optimization. Finally, a new collaboration-based approach is introduced that harnesses optimization provenance to make optimization faster and more robust in the future.