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
Category :
Languages : en
Pages : 557

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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
Category :
Languages : en
Pages : 557

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Multiscale Modelling Methods for Applications in Materials Science

Multiscale Modelling Methods for Applications in Materials Science PDF Author: Ivan Kondov
Publisher: Forschungszentrum Jülich
ISBN: 389336899X
Category :
Languages : en
Pages : 335

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Molecular Dynamics Simulation

Molecular Dynamics Simulation PDF Author: Giovanni Ciccotti
Publisher: MDPI
ISBN: 3906980650
Category : Science
Languages : en
Pages : 627

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Printed Edition of the Special Issue Published in Entropy

UNICORE Summit 2013

UNICORE Summit 2013 PDF Author: Valentina Huber
Publisher: Forschungszentrum Jülich
ISBN: 3893369104
Category :
Languages : en
Pages : 107

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Periodic Boundary Conditions and the Error-controlled Fast Multipole Method

Periodic Boundary Conditions and the Error-controlled Fast Multipole Method PDF Author: Ivo Kabadshow
Publisher: Forschungszentrum Jülich
ISBN: 3893367705
Category :
Languages : en
Pages : 143

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Nanoscience and its Applications

Nanoscience and its Applications PDF Author: Osvaldo de Oliveira Jr
Publisher: William Andrew
ISBN: 0323497810
Category : Technology & Engineering
Languages : en
Pages : 240

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Book Description
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

Computer Simulation of Liquids

Computer Simulation of Liquids PDF Author: M. P. Allen
Publisher: Oxford University Press
ISBN: 0198803192
Category : Computers
Languages : en
Pages : 641

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Book Description
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.

Ab Initio Molecular Dynamics

Ab Initio Molecular Dynamics PDF Author: Dominik Marx
Publisher: Cambridge University Press
ISBN: 1139477196
Category : Science
Languages : en
Pages : 503

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Book Description
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Design and Applications of an Interoperability Reference Model for Production E-science Infrastructures

Design and Applications of an Interoperability Reference Model for Production E-science Infrastructures PDF Author: Morris Riedel
Publisher: Forschungszentrum Jülich
ISBN: 3893368612
Category :
Languages : en
Pages : 299

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Route Choice Modelling and Runtime Optimisation for Simulation of Building Evacuation

Route Choice Modelling and Runtime Optimisation for Simulation of Building Evacuation PDF Author: Armel Ulrich Kemloh Wagoum
Publisher: Forschungszentrum Jülich
ISBN: 3893368655
Category :
Languages : en
Pages : 155

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