Infoscience

Journal article

First-principles simulation of vitreous systems

Recent developments in the field of first-principles simulation applied to vitreous systems are reviewed. Starting from first-principles molecular dynamics as a basic tool for the generation of structural models, this paper describes how, in recent years, the scope of first-principles methods has extended to the interpretation of vibrational spectra of glasses. (C) 2002 Elsevier Science Ltd. All rights reserved.

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