ISBN-10:
3540210512
ISBN-13:
9783540210511
Pub. Date:
06/14/2004
Publisher:
Springer Berlin Heidelberg
Computational Materials Science: From Basic Principles to Material Properties / Edition 1

Computational Materials Science: From Basic Principles to Material Properties / Edition 1

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Product Details

ISBN-13: 9783540210511
Publisher: Springer Berlin Heidelberg
Publication date: 06/14/2004
Series: Lecture Notes in Physics , #642
Edition description: 2004
Pages: 320
Product dimensions: 6.10(w) x 9.25(h) x 0.03(d)

Table of 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.

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