کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1555621 999074 2006 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Multiscale modeling and related hybrid approaches
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد شیمی مواد
پیش نمایش صفحه اول مقاله
Multiscale modeling and related hybrid approaches
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Opinion in Solid State and Materials Science - Volume 10, Issue 1, February 2006, Pages 2-14
نویسندگان
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