The Resource Computational Materials Science : From Basic Principles to Material Properties, edited by W. Hergert, M. Däne, A. Ernst, (electronic resource)

Computational Materials Science : From Basic Principles to Material Properties, edited by W. Hergert, M. Däne, A. Ernst, (electronic resource)

Label
Computational Materials Science : From Basic Principles to Material Properties
Title
Computational Materials Science
Title remainder
From Basic Principles to Material Properties
Statement of responsibility
edited by W. Hergert, M. Däne, A. Ernst
Creator
Contributor
Editor
Provider
Subject
Language
eng
Summary
Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. This book focusses on the application of computational methods in new fields of research, such as nanotechnology, spintronics and photonics, which will provide the foundation for important technological advances in the future. Methods such as electronic structure calculations, molecular dynamics simulations and beyond are presented, the discussion extending from the basics to the latest applications
Member of
http://library.link/vocab/creatorName
Hergert, W
Image bit depth
0
LC call number
QC173.45-173.458
Literary form
non fiction
http://library.link/vocab/relatedWorkOrContributorName
  • Däne, M.
  • Ernst, A.
  • SpringerLink
Series statement
Lecture Notes in Physics,
Series volume
642
http://library.link/vocab/subjectName
  • Physics
  • Mathematical physics
  • Condensed matter
  • Surfaces (Physics)
  • Physics
  • Condensed Matter
  • Characterization and Evaluation of Materials
  • Mathematical and Computational Physics
  • Physics and Applied Physics in Engineering
Label
Computational Materials Science : From Basic Principles to Material Properties, edited by W. Hergert, M. Däne, A. Ernst, (electronic resource)
Instantiates
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Introduction -- Density Functional Theory and the Full-Potential Local-Orbital Approach -- Methods for Band Structure Calculations in Solids -- A Solid-State Theoretical Approach to the Optical Properties of Photonic Crystals -- Simulation of Active and Nonlinear Photonic Nanomaterials in the Finite-Difference Time-Domain Framework -- Symmetry Properties of Electronic and Photonic Band Structures -- From the Cluster to the Liquid: Ab initio Calculations on Realistic Systems Based on First-Principles Molecular Dynamics -- Magnetism, Structure and Interactions at the Atomic Scale -- Present-Day Achievements of Molecular Dynamics Simulations -- Computational Materials Science with 'Materials Studio': Applications in Catalysis -- Integration of Modelling at Various Length and Time Scales -- Simulation of Material Behaviour from the Engineering Viewpoint - Classical Approaches and New Trends -- Parallel Implementation Strategies for Algorithms from Scientific Computing -- Multi-Grid Methods - An Introduction
Dimensions
unknown
Extent
XVI, 320 p.
File format
multiple file formats
Form of item
electronic
Isbn
9783540399155
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/b11279
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-540-39915-5
Label
Computational Materials Science : From Basic Principles to Material Properties, edited by W. Hergert, M. Däne, A. Ernst, (electronic resource)
Publication
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Introduction -- Density Functional Theory and the Full-Potential Local-Orbital Approach -- Methods for Band Structure Calculations in Solids -- A Solid-State Theoretical Approach to the Optical Properties of Photonic Crystals -- Simulation of Active and Nonlinear Photonic Nanomaterials in the Finite-Difference Time-Domain Framework -- Symmetry Properties of Electronic and Photonic Band Structures -- From the Cluster to the Liquid: Ab initio Calculations on Realistic Systems Based on First-Principles Molecular Dynamics -- Magnetism, Structure and Interactions at the Atomic Scale -- Present-Day Achievements of Molecular Dynamics Simulations -- Computational Materials Science with 'Materials Studio': Applications in Catalysis -- Integration of Modelling at Various Length and Time Scales -- Simulation of Material Behaviour from the Engineering Viewpoint - Classical Approaches and New Trends -- Parallel Implementation Strategies for Algorithms from Scientific Computing -- Multi-Grid Methods - An Introduction
Dimensions
unknown
Extent
XVI, 320 p.
File format
multiple file formats
Form of item
electronic
Isbn
9783540399155
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other control number
10.1007/b11279
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote
System control number
(DE-He213)978-3-540-39915-5

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