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003 DE-He213
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007 cr nn 008mamaa
008 121227s2004 gw | s |||| 0|eng d
020 _a9783540399155
_9978-3-540-39915-5
024 7 _a10.1007/b11279
_2doi
050 4 _aQC173.45-173.458
072 7 _aPHF
_2bicssc
072 7 _aSCI077000
_2bisacsh
072 7 _aPHF
_2thema
082 0 4 _a530.41
_223
245 1 0 _aComputational Materials Science
_h[electronic resource] :
_bFrom Basic Principles to Material Properties /
_cedited by W. Hergert, M. Däne, A. Ernst.
264 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg,
_c2004.
300 _aXVI, 320 p. 78 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aLecture Notes in Physics,
_x0075-8450 ;
_v642
505 0 _aIntroduction -- 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.
520 _aComputational 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.
650 0 _aSurfaces (Physics).
650 0 _aEngineering.
650 1 4 _aCondensed Matter Physics.
_0http://scigraph.springernature.com/things/product-market-codes/P25005
650 2 4 _aCharacterization and Evaluation of Materials.
_0http://scigraph.springernature.com/things/product-market-codes/Z17000
650 2 4 _aTheoretical, Mathematical and Computational Physics.
_0http://scigraph.springernature.com/things/product-market-codes/P19005
650 2 4 _aEngineering, general.
_0http://scigraph.springernature.com/things/product-market-codes/T00004
700 1 _aHergert, W.
_eeditor.
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
700 1 _aDäne, M.
_eeditor.
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
700 1 _aErnst, A.
_eeditor.
_4edt
_4http://id.loc.gov/vocabulary/relators/edt
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783642059179
776 0 8 _iPrinted edition:
_z9783662144350
776 0 8 _iPrinted edition:
_z9783540210511
830 0 _aLecture Notes in Physics,
_x0075-8450 ;
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856 4 0 _uhttps://doi.org/10.1007/b11279
912 _aZDB-2-PHA
912 _aZDB-2-LNP
912 _aZDB-2-BAE
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