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.

Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective / Pedone, Alfonso; Menziani, Maria Cristina. - ELETTRONICO. - 215:(2015), pp. 113-135. [10.1007/978-3-319-15675-0_5]

Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective

PEDONE, Alfonso;MENZIANI, Maria Cristina
2015

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.
2015
MOLECULAR DYNAMICS SIMULATIONS OF DISORDERED MATERIALS: FROM NETWORK GLASSES TO PHASE-CHANGE MEMORY ALLOYS
978-3-319-15675-0
978-3-319-15674-3
SVIZZERA
Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective / Pedone, Alfonso; Menziani, Maria Cristina. - ELETTRONICO. - 215:(2015), pp. 113-135. [10.1007/978-3-319-15675-0_5]
Pedone, Alfonso; Menziani, Maria Cristina
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1067873
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