Hierarchical Methods For Dynamics In Complex Molecular Systems

Hierarchical Methods for Dynamics in Complex Molecular Systems PDF
Author: Johannes Grotendorst
Publisher: Forschungszentrum Jülich
ISBN: 3893367683
Size: 51.50 MB
Format: PDF
Category :
Languages : en
Pages : 540
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Hierarchical Methods For Dynamics In Complex Molecular Systems

by Johannes Grotendorst, Hierarchical Methods For Dynamics In Complex Molecular Systems Books available in PDF, EPUB, Mobi Format. Download Hierarchical Methods For Dynamics In Complex Molecular Systems books,


Molecular Dynamics Simulation

Molecular Dynamics Simulation PDF
Author: Giovanni Ciccotti
Publisher: MDPI
ISBN: 3906980650
Size: 15.72 MB
Format: PDF, Kindle
Category :
Languages : en
Pages : 636
View: 7450

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Molecular Dynamics Simulation

by Giovanni Ciccotti, Molecular Dynamics Simulation Books available in PDF, EPUB, Mobi Format. Download Molecular Dynamics Simulation books, Printed Edition of the Special Issue Published in Entropy


Nanoscience And Its Applications

Nanoscience and its Applications PDF
Author: Osvaldo de Oliveira, Jr
Publisher: William Andrew
ISBN: 0323497810
Size: 43.99 MB
Format: PDF, ePub, Mobi
Category : Technology & Engineering
Languages : en
Pages : 238
View: 4151

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Nanoscience And Its Applications

by Osvaldo de Oliveira, Jr, Nanoscience And Its Applications Books available in PDF, EPUB, Mobi Format. Download Nanoscience And Its Applications books, 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


Quantum Dynamics Of Complex Molecular Systems

Quantum Dynamics of Complex Molecular Systems PDF
Author: David A. Micha
Publisher: Springer Science & Business Media
ISBN: 3540344608
Size: 18.29 MB
Format: PDF
Category : Science
Languages : en
Pages : 429
View: 4001

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Quantum Dynamics Of Complex Molecular Systems

by David A. Micha, Quantum Dynamics Of Complex Molecular Systems Books available in PDF, EPUB, Mobi Format. Download Quantum Dynamics Of Complex Molecular Systems books, Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods


Dissipative Exciton Dynamics In Light Harvesting Complexes

Dissipative Exciton Dynamics in Light Harvesting Complexes PDF
Author: Marco Schröter
Publisher: Springer
ISBN: 3658092823
Size: 28.37 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 121
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Dissipative Exciton Dynamics In Light Harvesting Complexes

by Marco Schröter, Dissipative Exciton Dynamics In Light Harvesting Complexes Books available in PDF, EPUB, Mobi Format. Download Dissipative Exciton Dynamics In Light Harvesting Complexes books, Marco Schröter investigates the influence of the local environment on the exciton dynamics within molecular aggregates, which build, e.g., the light-harvesting complexes of plants, bacteria or algae by means of the hierarchy equations of motion (HEOM) method. He addresses the following questions in detail: How can coherent oscillations within a system of coupled molecules be interpreted? What are the changes in the quantum dynamics of the system for increasing coupling strength between electronic and nuclear degrees of freedom? To what extent does decoherence govern the energy transfer properties of molecular aggregates?.


Computational Methods In Systems Biology

Computational Methods in Systems Biology PDF
Author: Corrado Priami
Publisher: Springer Science & Business Media
ISBN: 3540006052
Size: 71.45 MB
Format: PDF, Mobi
Category : Computers
Languages : en
Pages : 214
View: 6297

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Computational Methods In Systems Biology

by Corrado Priami, Computational Methods In Systems Biology Books available in PDF, EPUB, Mobi Format. Download Computational Methods In Systems Biology books, Rovereto,December2002 CorradoPriami ProgrammeCommitteeofCMSB 2003 CorradoPriami(Chair),UniversityofTrento(Italy), CharlesAu?ray,CNRS,Villejuif(France), CosimaBaldari,Universit`adiSiena(Italy), AlexanderBockmayr,Universit ́eHenriPoincar ́e(France), LucaCardelli,MicrosoftResearchCambridge(UK), VincentDanos,Universit ́eParisVII(France), PierpaoloDegano,Universitad ` iPisa(Italy), Francois ̧ Fages,INRIA,Rocquencourt(France), DrabløsFinn,NorwegianUniversityofScienceandTechnology,Trondheim(N- way), MonikaHeiner,BrandenburgUniversityofTechnologyatCottbus(Germany), InaKoch,UniversityofAppliedSciencesBerlin,(Germany), JohnE.


Numerical Simulation In Molecular Dynamics

Numerical Simulation in Molecular Dynamics PDF
Author: Michael Griebel
Publisher: Springer Science & Business Media
ISBN: 3540680950
Size: 46.57 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 476
View: 2344

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Numerical Simulation In Molecular Dynamics

by Michael Griebel, Numerical Simulation In Molecular Dynamics Books available in PDF, EPUB, Mobi Format. Download Numerical Simulation In Molecular Dynamics books, 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.


Cyberinfrastructure Technologies And Applications

Cyberinfrastructure Technologies and Applications PDF
Author: Junwei Cao
Publisher: Nova Science Pub Incorporated
ISBN:
Size: 77.85 MB
Format: PDF, ePub
Category : Technology & Engineering
Languages : en
Pages : 345
View: 4856

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Cyberinfrastructure Technologies And Applications

by Junwei Cao, Cyberinfrastructure Technologies And Applications Books available in PDF, EPUB, Mobi Format. Download Cyberinfrastructure Technologies And Applications books, Cyberinfrastructure was proposed in a report of the NSF Blue-Ribbon advisory panel in 2003. Cyberinfrastructure will provide a unified environment to access and manage cyber resources, e.g. supercomputers, data archives, software services, scientific instruments and virtual organisations. In this book, the authors review latest research and development and discuss new technologies and applications involved in building Cyberinfrastructure. The purpose of this book is to provide a detailed summary of early experiences, practices and lessons leaned in building Cyberinfrastructure from multiple perspectives: software development and maintenance, resource integration and sharing, cyber environment construction, operation and management, testing and troubleshooting, application enabling, security and QoS ensuring. Consequently, this book can serve as a valuable source of reference and indispensable reading for researchers, educators, engineers, graduate students, and practitioners in the field of design and implementation of Cyberinfrastructure systems.


Many Body Tree Methods In Physics

Many Body Tree Methods in Physics PDF
Author: Susanne Pfalzner
Publisher: Cambridge University Press
ISBN: 9780521019163
Size: 42.80 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 184
View: 2977

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Many Body Tree Methods In Physics

by Susanne Pfalzner, Many Body Tree Methods In Physics Books available in PDF, EPUB, Mobi Format. Download Many Body Tree Methods In Physics books, An introduction to the fast N-body algorithms used in many branches of computational physics.