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The Resource Computational nanoscience, edited by Elena Bichoutskaia, (electronic book)

Computational nanoscience, edited by Elena Bichoutskaia, (electronic book)

Label
Computational nanoscience
Title
Computational nanoscience
Statement of responsibility
edited by Elena Bichoutskaia
Contributor
Subject
Language
eng
Summary
Nanoscience is one of the most exciting areas of modern physical science as it encompasses a range of techniques rather than a single discipline. It stretches across the whole spectrum of science including: medicine and health, physics, engineering and chemistry. Providing a deep understanding of the behaviour of matter at the scale of individual atoms and molecules, it provides a crucial step towards future applications of nanotechnology. The remarkable improvements in both theoretical methods and computational techniques make it possible for modern computational nanoscience to achieve a new level of chemical accuracy. It is now a discipline capable of leading and guiding experimental efforts rather than just following others.Computational Nanoscience addresses modern challenges in computational science, within the context of the rapidly evolving field of nanotechnology. It satisfies the need for a comprehensive, yet concise and up-to-date, survey of new developments and applications presented by the world's leading academics. It documents major, recent advances in scientific computation, mathematical models and theory development that specifically target the applications in nanotechnology. Suitable for theoreticians, researchers and students, the book shows readers what computational nanoscience can achieve, and how it may be applied in their own work. The twelve chapters cover topics including the concepts behind recent breakthroughs, the development of cutting edge simulation tools, and the variety of new applications
Member of
Cataloging source
UKRSC
Dewey number
620.50285
Illustrations
illustrations
Index
index present
LC call number
QC176.8.N35
LC item number
C66 2011
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
  • Bichoutskaia, Elena
  • Royal Society of Chemistry (Great Britain)
Series statement
RSC theoretical and computational chemistry
Series volume
4
http://library.link/vocab/subjectName
  • Nanostructures
  • Nanoscience
  • Nanochemistry
  • Computer algorithms
Label
Computational nanoscience, edited by Elena Bichoutskaia, (electronic book)
Instantiates
Publication
Bibliography note
Includes bibliographical references and index
Color
multicolored
Contents
  • Simulating thermomechanical phenomena of nanoscale systems
  • P. Alex Greaney and Jeffrey C. Grossman
  • Computational electrodynamics methods
  • Nadine Harris ... [et al.]
  • Electron transport theory for large systems
  • Stefano Sanvito
  • Theoretical strategies for functionalisation and encapsulation of nanotubes
  • Gotthard Seifert ... [et al.]
  • Density functional calculations of NMR chemical shifts in carbon nanotubes
  • Eva Zurek and Jochen Autschbach
  • Algorithms for predicting the physical properties of nanocrystals and large clusters
  • Computational study of the formation of inorganic nanotubes
  • Mark Wilson
  • Native and irradiation-induced defects in graphene : what can we learn from atomistic simulations?
  • Jani Kotakoski and Arkady V. Krasheninnikov
  • The atomic-, nano-, and mesoscale origins of graphite's response to energetic particles
  • Malcolm I. Heggie and Christopher D. Latham
  • James R. Chelikowsky
  • Rational design of mixed nanoclusters : metal shells supported and shaped by molecular cores
  • Fedor Y. Naumkin
  • Self-assembly of nanoclusters : an energy landscape perspective
  • Dwaipayan Chakrabarti, Szilard N. Fejer and David J. Wales
  • Phase transition under confinement
  • Jayant K. Singh, Hugh Docherty and Peter T. Cummings
Control code
RSC813298655
Dimensions
unknown
Extent
1 online resource (xiv, 429 p.)
Form of item
electronic
Isbn
9781849732680
Other physical details
ill.
Specific material designation
remote
Label
Computational nanoscience, edited by Elena Bichoutskaia, (electronic book)
Publication
Bibliography note
Includes bibliographical references and index
Color
multicolored
Contents
  • Simulating thermomechanical phenomena of nanoscale systems
  • P. Alex Greaney and Jeffrey C. Grossman
  • Computational electrodynamics methods
  • Nadine Harris ... [et al.]
  • Electron transport theory for large systems
  • Stefano Sanvito
  • Theoretical strategies for functionalisation and encapsulation of nanotubes
  • Gotthard Seifert ... [et al.]
  • Density functional calculations of NMR chemical shifts in carbon nanotubes
  • Eva Zurek and Jochen Autschbach
  • Algorithms for predicting the physical properties of nanocrystals and large clusters
  • Computational study of the formation of inorganic nanotubes
  • Mark Wilson
  • Native and irradiation-induced defects in graphene : what can we learn from atomistic simulations?
  • Jani Kotakoski and Arkady V. Krasheninnikov
  • The atomic-, nano-, and mesoscale origins of graphite's response to energetic particles
  • Malcolm I. Heggie and Christopher D. Latham
  • James R. Chelikowsky
  • Rational design of mixed nanoclusters : metal shells supported and shaped by molecular cores
  • Fedor Y. Naumkin
  • Self-assembly of nanoclusters : an energy landscape perspective
  • Dwaipayan Chakrabarti, Szilard N. Fejer and David J. Wales
  • Phase transition under confinement
  • Jayant K. Singh, Hugh Docherty and Peter T. Cummings
Control code
RSC813298655
Dimensions
unknown
Extent
1 online resource (xiv, 429 p.)
Form of item
electronic
Isbn
9781849732680
Other physical details
ill.
Specific material designation
remote

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