Computational materials science : from basic principles to material properties /
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 desig...
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| Other Authors: | , , |
| Format: | eBook |
| Language: | English |
| Published: |
Berlin ; New York :
Springer,
[2004]
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| Series: | Lecture notes in physics ;
642. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
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.