Studies Relating To The Numerical Simulation Of Molecular Dynamics
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Numerical Simulation In Molecular Dynamics
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Author : Michael Griebel
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-08-16
Numerical Simulation In Molecular Dynamics written by Michael Griebel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-08-16 with Science categories.
This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn how to write programs capable of running successful experiments for molecular dynamics.
The Art Of Molecular Dynamics Simulation
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Author : D. C. Rapaport
language : en
Publisher: Cambridge University Press
Release Date : 2004-04
The Art Of Molecular Dynamics Simulation written by D. C. Rapaport and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-04 with Science categories.
First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Studies Relating To The Numerical Simulation Of Molecular Dynamics
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Author : Peter Gee
language : en
Publisher:
Release Date : 2005
Studies Relating To The Numerical Simulation Of Molecular Dynamics written by Peter Gee and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
Studies Relating To The Numerical Simulation Of Molecular Dynamics
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Author : Peter Gee
language : en
Publisher:
Release Date : 2005
Studies Relating To The Numerical Simulation Of Molecular Dynamics written by Peter Gee and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
Molecular Dynamics
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Author : Ben Leimkuhler
language : en
Publisher: Springer
Release Date : 2015-05-18
Molecular Dynamics written by Ben Leimkuhler and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-05-18 with Mathematics categories.
This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping, and the dissipative particle dynamics method.
Boiling
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Author : Yasuo Koizumi
language : en
Publisher: Elsevier
Release Date : 2017-06-22
Boiling written by Yasuo Koizumi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-06-22 with Technology & Engineering categories.
Boiling: Research and Advances presents the latest developments and improvements in the technologies, instrumentation, and equipment surrounding boiling. Presented by the Japan Society of Mechanical Engineers, the book takes a holistic approach, first providing principles, and then numerous practical applications that consider size scales. Through six chapters, the book covers contributed sections from knowledgeable specialists on various topics, ranging from outlining boiling phenomena and heat transfer characteristics, to the numerical simulation of liquid-gas two phase flow. It summarizes, in a single volume, the state-of-the-art in boiling heat transfer and provides a valuable resource for thermal engineers and practitioners working in the thermal sciences and thermal engineering. - Explores the most recent advancements in boiling research and technology from the last twenty years - Provides section content written by contributing experts in their respective research areas - Shares research being conducted and advancements being made on boiling and heat transfer in Japan, one of the major research hubs in this field
Nasa Technical Memorandum
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Author :
language : en
Publisher:
Release Date : 1994
Nasa Technical Memorandum written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Aeronautics categories.
Cooperative Research Associateships Post Doctoral Research Awards
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Author :
language : en
Publisher: National Academies
Release Date : 1990
Cooperative Research Associateships Post Doctoral Research Awards written by and has been published by National Academies this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Research grants categories.
Microgravity Science And Applications Program Tasks
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Author :
language : en
Publisher:
Release Date : 1992
Microgravity Science And Applications Program Tasks written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Fluid dynamics (Space environment) categories.
Organic Solar Cells
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Author : Qiquan Qiao
language : en
Publisher: CRC Press
Release Date : 2017-12-19
Organic Solar Cells written by Qiquan Qiao and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-12-19 with Science categories.
Current energy consumption mainly depends on fossil fuels that are limited and can cause environmental issues such as greenhouse gas emissions and global warming. These factors have stimulated the search for alternate, clean, and renewable energy sources. Solar cells are some of the most promising clean and readily available energy sources. Plus, the successful utilization of solar energy can help reduce the dependence on fossil fuels. Recently, organic solar cells have gained extensive attention as a next-generation photovoltaic technology due to their light weight, mechanical flexibility, and solution-based cost-effective processing. Organic Solar Cells: Materials, Devices, Interfaces, and Modeling provides an in-depth understanding of the current state of the art of organic solar cell technology. Encompassing the full spectrum of organic solar cell materials, modeling and simulation, and device physics and engineering, this comprehensive text: Discusses active layer, interfacial, and transparent electrode materials Explains how to relate synthesis parameters to morphology of the photoactive layer using molecular dynamics simulations Offers insight into coupling morphology and interfaces with charge transport in organic solar cells Explores photoexcited carrier dynamics, defect states, interface engineering, and nanophase separation Covers inorganic–organic hybrids, tandem structure, and graphene-based polymer solar cells Organic Solar Cells: Materials, Devices, Interfaces, and Modeling makes an ideal reference for scientists and engineers as well as researchers and students entering the field from broad disciplines including chemistry, material science and engineering, physics, nanotechnology, nanoscience, and electrical engineering.