Computational Materials Science From Basic Principles to Material Properties

Computational Materials Science From Basic Principles to Material Properties / edited by Wofram Hergert, Arthur Ernst, Markus Däne.

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...

Full description

Saved in:
Bibliographic Details
Corporate Author: SpringerLink (Online service)
Other Authors: Hergert, Wofram (Editor), Ernst, Arthur (Editor), Däne, Markus (Editor)
Format: eBook
Language:English
Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2004.
Edition:1st ed. 2004.
Series:Lecture Notes in Physics, 642
Springer eBook Collection.
Subjects:
Condensed matter.
Materials science.
Mathematical physics.
Engineering.
Electronic resources (E-books)
Online Access:Click to view e-book
Holy Cross Note:Loaded electronically.
Electronic access restricted to members of the Holy Cross Community.
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.

Similar Items