First Principles Modeling for Research and Design of New Materials

First principles computation can be used to investigate an design materials in ways that can not be achieved with experimental means. We show how computations can be used to rapidly capture the essential physics that determines the useful properties in different applications. Some applications for p...

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Bibliographic Details
Main Author: Ceder, Gerbrand
Format: Article
Language:en_US
Published: 2003
Subjects:
Online Access:http://hdl.handle.net/1721.1/3663