Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective
Capitolo di libro
Data di Pubblicazione:
2015
Citazione:
Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective / Pedone, A., Menziani, M.C. (SPRINGER SERIES IN MATERIALS SCIENCE). - In: MOLECULAR DYNAMICS SIMULATIONS OF DISORDERED MATERIALS: FROM NETWORK GLASSES TO PHASE-CHANGE MEMORY ALLOYSELETTRONICO. - HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY : Springer Verlag, 2015. - ISBN 978-3-319-15675-0. - pp. 113-135 [10.1007/978-3-319-15675-0_5]
Abstract:
This article reviews the present state of Quantitative Structure-Property
Relationships (QSPR) in glass design and gives an outlook into future developments.
First an overview is given of the statistical methodology, with particular emphasis
to the integration of QSPR with molecular dynamics simulations to derive informative
structural descriptors. Then, the potentiality of this approach as a tool for
interpretative and predictive purposes is highlighted by a number of recent inspiring
applications.
Relationships (QSPR) in glass design and gives an outlook into future developments.
First an overview is given of the statistical methodology, with particular emphasis
to the integration of QSPR with molecular dynamics simulations to derive informative
structural descriptors. Then, the potentiality of this approach as a tool for
interpretative and predictive purposes is highlighted by a number of recent inspiring
applications.
Tipologia CRIS:
Capitolo/Saggio
Keywords:
Silicate Glasses, Molecular Dynamics Simulations, QSPR
Elenco autori:
Pedone, Alfonso; Menziani, Maria Cristina
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Link al Full Text:
Titolo del libro:
MOLECULAR DYNAMICS SIMULATIONS OF DISORDERED MATERIALS: FROM NETWORK GLASSES TO PHASE-CHANGE MEMORY ALLOYS
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