Hierarchical Methods For Dynamics In Complex Molecular Systems PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Hierarchical Methods For Dynamics In Complex Molecular Systems PDF full book. Access full book title Hierarchical Methods For Dynamics In Complex Molecular Systems.
Author | : Johannes Grotendorst |
Publisher | : Forschungszentrum Jülich |
Total Pages | : 557 |
Release | : 2012 |
Genre | : |
ISBN | : 3893367683 |
Download Hierarchical Methods for Dynamics in Complex Molecular Systems Book in PDF, ePub and Kindle
Author | : Ivan Kondov |
Publisher | : Forschungszentrum Jülich |
Total Pages | : 335 |
Release | : 2013 |
Genre | : |
ISBN | : 389336899X |
Download Multiscale Modelling Methods for Applications in Materials Science Book in PDF, ePub and Kindle
Author | : Mikko Karttunen |
Publisher | : |
Total Pages | : |
Release | : 2002 |
Genre | : |
ISBN | : |
Download A Hierarchical Method for Coarse Graining Molecular Systems Book in PDF, ePub and Kindle
Author | : Giovanni Ciccotti |
Publisher | : MDPI |
Total Pages | : 627 |
Release | : 2018-10-08 |
Genre | : Electronic book |
ISBN | : 3906980650 |
Download Molecular Dynamics Simulation Book in PDF, ePub and Kindle
Printed Edition of the Special Issue Published in Entropy
Author | : Osvaldo de Oliveira Jr |
Publisher | : William Andrew |
Total Pages | : 240 |
Release | : 2016-12-30 |
Genre | : Technology & Engineering |
ISBN | : 0323497810 |
Download Nanoscience and its Applications Book in PDF, ePub and Kindle
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
Author | : Michael P. Allen |
Publisher | : Oxford University Press |
Total Pages | : 640 |
Release | : 2017-08-15 |
Genre | : Science |
ISBN | : 0192524704 |
Download Computer Simulation of Liquids Book in PDF, ePub and Kindle
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
Author | : Sonja Holl |
Publisher | : Forschungszentrum Jülich |
Total Pages | : 207 |
Release | : 2014 |
Genre | : |
ISBN | : 389336949X |
Download Automated Optimization Methods for Scientific Workflows in e-Science Infrastructures Book in PDF, ePub and Kindle
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.
Author | : Inaki Tunon |
Publisher | : Royal Society of Chemistry |
Total Pages | : 558 |
Release | : 2016-11-25 |
Genre | : Science |
ISBN | : 1782624295 |
Download Simulating Enzyme Reactivity Book in PDF, ePub and Kindle
Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.
Author | : Morris Riedel |
Publisher | : Forschungszentrum Jülich |
Total Pages | : 299 |
Release | : 2013 |
Genre | : |
ISBN | : 3893368612 |
Download Design and Applications of an Interoperability Reference Model for Production E-science Infrastructures Book in PDF, ePub and Kindle
Author | : Armel Ulrich Kemloh Wagoum |
Publisher | : Forschungszentrum Jülich |
Total Pages | : 155 |
Release | : 2013 |
Genre | : |
ISBN | : 3893368655 |
Download Route Choice Modelling and Runtime Optimisation for Simulation of Building Evacuation Book in PDF, ePub and Kindle