Hierarchical Methods For Dynamics In Complex Molecular Systems
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Hierarchical Methods For Dynamics In Complex Molecular Systems
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Author : Johannes Grotendorst
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Hierarchical Methods For Dynamics In Complex Molecular Systems written by Johannes Grotendorst and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Multiscale Modelling Methods For Applications In Materials Science
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Author : Ivan Kondov
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2013
Multiscale Modelling Methods For Applications In Materials Science written by Ivan Kondov and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Molecular Dynamics Simulation
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Author : Giovanni Ciccotti
language : en
Publisher: MDPI
Release Date : 2018-10-08
Molecular Dynamics Simulation written by Giovanni Ciccotti and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-08 with Science categories.
Printed Edition of the Special Issue Published in Entropy
Unicore Summit 2013
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Author : Valentina Huber
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2013
Unicore Summit 2013 written by Valentina Huber and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Nanoscience And Its Applications
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Author : Osvaldo de Oliveira Jr
language : en
Publisher: William Andrew
Release Date : 2016-12-30
Nanoscience And Its Applications written by Osvaldo de Oliveira Jr and has been published by William Andrew this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-30 with Technology & Engineering categories.
Nanoscience and Its Applications explores how nanoscience is used in modern industry to increase product performance, including an understanding of how these materials and systems, at the molecular level, provide novel properties and physical, chemical, and biological phenomena that have been successfully used in innovative ways in a wide range of industries. This book is an important reference source for early-career researchers and practicing materials scientists and engineers seeking a greater understanding on how nanoscience can be used in modern industries. - Provides a detailed overview of how nanoscience is used to increase product efficiency in a variety of fields, from agribusiness to medicine, - Shows how nanoscience can help product developers increase product performance whilst reducing costs - Illustrates how nanoscience has been used innovatively in a great variety of disciplines, giving those working in many different industries ideas as to how nanoscience might answer important questions
Design And Applications Of An Interoperability Reference Model For Production E Science Infrastructures
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Author : Morris Riedel
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2013
Design And Applications Of An Interoperability Reference Model For Production E Science Infrastructures written by Morris Riedel and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Computer Simulation Of Liquids
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Author : M. P. Allen
language : en
Publisher: Oxford University Press
Release Date : 2017
Computer Simulation Of Liquids written by M. P. Allen and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017 with Computers categories.
This is the second edition of a widely used practical guide to computer simulations of liquids. The technique uses a model for the way molecules interact, to predict how large numbers of them behave in liquid state. This essential introduction to this rapidly growing field is complete with illustrative computer code.
Route Choice Modelling And Runtime Optimisation For Simulation Of Building Evacuation
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Author : Armel Ulrich Kemloh Wagoum
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2013
Route Choice Modelling And Runtime Optimisation For Simulation Of Building Evacuation written by Armel Ulrich Kemloh Wagoum and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
Automated Optimization Methods For Scientific Workflows In E Science Infrastructures
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Author : Sonja Holl
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2014
Automated Optimization Methods For Scientific Workflows In E Science Infrastructures written by Sonja Holl and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014 with categories.
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.
Periodic Boundary Conditions And The Error Controlled Fast Multipole Method
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Author : Ivo Kabadshow
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Periodic Boundary Conditions And The Error Controlled Fast Multipole Method written by Ivo Kabadshow and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.