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Fast Methods For Long Range Interactions In Complex Systems
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Book Synopsis Fast Methods for Long-range Interactions in Complex Systems by : Godehard Sutmann
Download or read book Fast Methods for Long-range Interactions in Complex Systems written by Godehard Sutmann and published by Forschungszentrum Jülich. This book was released on 2011 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures by : Sonja Holl
Download or read book Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures written by Sonja Holl and published by Forschungszentrum Jülich. This book was released on 2014 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Generalized Algebraic Kernels and Multipole Expansions for Massively Parallel Vortex Particle Methods by : Robert Speck
Download or read book Generalized Algebraic Kernels and Multipole Expansions for Massively Parallel Vortex Particle Methods written by Robert Speck and published by Forschungszentrum Jülich. This book was released on 2011 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Recent Trends in Computational Engineering - CE2014 by : Miriam Mehl
Download or read book Recent Trends in Computational Engineering - CE2014 written by Miriam Mehl and published by Springer. This book was released on 2015-10-12 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheraga’s 90th Birthday by : Paolo Carloni
Download or read book From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheraga’s 90th Birthday written by Paolo Carloni and published by Forschungszentrum Jülich. This book was released on 2012 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Three-dimensional Solute Transport Modeling in Coupled Soil and Plant Root Systems by : Natalie Schröder
Download or read book Three-dimensional Solute Transport Modeling in Coupled Soil and Plant Root Systems written by Natalie Schröder and published by Forschungszentrum Jülich. This book was released on 2014-03-21 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis UNICORE Summit 2013 by : Valentina Huber
Download or read book UNICORE Summit 2013 written by Valentina Huber and published by Forschungszentrum Jülich. This book was released on 2013 with total page 107 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Pedestrian Fundamental Diagrams by : Jun Zhang
Download or read book Pedestrian Fundamental Diagrams written by Jun Zhang and published by Forschungszentrum Jülich. This book was released on 2012 with total page 125 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Characterizing Load and Communication Imbalance in Parallel Applications by : David Böhme
Download or read book Characterizing Load and Communication Imbalance in Parallel Applications written by David Böhme and published by Forschungszentrum Jülich. This book was released on 2014-03-28 with total page 135 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Proceedings written by Mathilde Romberg and published by Forschungszentrum Jülich. This book was released on 2011 with total page 165 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Route Choice Modelling and Runtime Optimisation for Simulation of Building Evacuation by : Armel Ulrich Kemloh Wagoum
Download or read book Route Choice Modelling and Runtime Optimisation for Simulation of Building Evacuation written by Armel Ulrich Kemloh Wagoum and published by Forschungszentrum Jülich. This book was released on 2013 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Software for Exascale Computing - SPPEXA 2016-2019 by : Hans-Joachim Bungartz
Download or read book Software for Exascale Computing - SPPEXA 2016-2019 written by Hans-Joachim Bungartz and published by Springer Nature. This book was released on 2020-07-30 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. 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 book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest.
Book Synopsis Computational Molecular Dynamics: Challenges, Methods, Ideas by : Peter Deuflhard
Download or read book Computational Molecular Dynamics: Challenges, Methods, Ideas written by Peter Deuflhard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Book Synopsis Computational Methods for Macromolecules: Challenges and Applications by : Tamar Schlick
Download or read book Computational Methods for Macromolecules: Challenges and Applications written by Tamar Schlick and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This special volume collects invited articles by participants of the Third International Workshop on Methods for Macromolecular Modeling, Courant Institute of Mathematical Sciences, Oct. 12-14, 2000. Leading developers of methods for biomolecular simulations review advances in Monte Carlo and molecular dynamics methods, free energy computational methods, fast electrostatics (particle-mesh Ewald and fast multipole methods), mathematics, and molecular neurobiology, nucleic acid simulations, enzyme reactions, and other essential applications in biomolecular simulations. A Perspectives article by the editors assesses the directions and impact of macromolecular modeling research, including genomics and proteomics. These reviews and original papers by applied mathematicians, theoretical chemists, biomedical researchers, and physicists are of interest to interdisciplinary research students, developers and users of biomolecular methods in academia and industry.
Book Synopsis Molecular Dynamics On Parallel Computers by : Peter Grassberger
Download or read book Molecular Dynamics On Parallel Computers written by Peter Grassberger and published by World Scientific. This book was released on 2000-02-22 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.
Book Synopsis Advances in the Computer Simulatons of Liquid Crystals by : Paolo Pasini
Download or read book Advances in the Computer Simulatons of Liquid Crystals written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 435 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer simulations provide an essential set of tools for understanding the macroscopic properties of liquid crystals and of their phase transitions in terms of molecular models. While simulations of liquid crystals are based on the same general Monte Carlo and molecular dynamics techniques as are used for other fluids, they present a number of specific problems and peculiarities connected to the intrinsic properties of these mesophases. The field of computer simulations of anisotropic fluids is interdisciplinary and is evolving very rapidly. The present volume covers a variety of techniques and model systems, from lattices to hard particle and Gay-Berne to atomistic, for thermotropics, lyotropics, and some biologically interesting liquid crystals. Contributions are written by an excellent panel of international lecturers and provides a timely account of the techniques and problems in the field.
Book Synopsis Computational Methods for Complex Liquid-Fluid Interfaces by : Mohammad Taeibi Rahni
Download or read book Computational Methods for Complex Liquid-Fluid Interfaces written by Mohammad Taeibi Rahni and published by CRC Press. This book was released on 2015-11-11 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Methods for Complex Liquid-Fluid Interfaces highlights key computational challenges involved in the two-way coupling of complex liquid-fluid interfaces. The book covers a variety of cutting-edge experimental and computational techniques ranging from macro- to meso- and microscale approaches (including pivotal applications). As example
