000 | 04088nam a22005415i 4500 | ||
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001 | 978-3-540-39915-5 | ||
003 | DE-He213 | ||
005 | 20190213151924.0 | ||
007 | cr nn 008mamaa | ||
008 | 121227s2004 gw | s |||| 0|eng d | ||
020 |
_a9783540399155 _9978-3-540-39915-5 |
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024 | 7 |
_a10.1007/b11279 _2doi |
|
050 | 4 | _aQC173.45-173.458 | |
072 | 7 |
_aPHF _2bicssc |
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072 | 7 |
_aSCI077000 _2bisacsh |
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072 | 7 |
_aPHF _2thema |
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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. |
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336 |
_atext _btxt _2rdacontent |
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337 |
_acomputer _bc _2rdamedia |
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338 |
_aonline resource _bcr _2rdacarrier |
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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 ; _v642 |
|
856 | 4 | 0 | _uhttps://doi.org/10.1007/b11279 |
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912 | _aZDB-2-LNP | ||
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