Title of article
Multiscale modeling and related hybrid approaches
Author/Authors
Wang، نويسنده , , C.Y. and Zhang، نويسنده , , Xu، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
13
From page
2
To page
14
Abstract
The general representation about the multiscale modeling and related approaches is briefly reported. The hybrid schemes for coupling between quantum mechanics and molecular mechanics subsystem are introduced and reviewed focusing on recent progress involving the density functional theory based formalism and the methodology of scaled position method as well as scaled position link atom method. The hybrid approaches have important theoretical sense and application potential, especially, for the fields of materials science. Concurrently the hybrid energy density method – density functional-based is also reported, which is from our recent works. Finally, the look into future is briefly presented.
Keywords
multiscale modeling , Hybrid approaches , Local with environment , coupling mechanism , Energy density method
Journal title
Current Opinion in Solid State and Materials Science
Serial Year
2006
Journal title
Current Opinion in Solid State and Materials Science
Record number
2089077
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