Variational Methods in Molecular Modeling

This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, G...

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Detaylı Bibliyografya
Müşterek Yazar: SpringerLink (Online service)
Diğer Yazarlar: Wu, Jianzhong (Editör)
Materyal Türü: e-Kitap
Dil:İngilizce
Baskı/Yayın Bilgisi: Singapore : Springer Nature Singapore : Imprint: Springer, 2017.
Edisyon:1st ed. 2017.
Seri Bilgileri:Molecular Modeling and Simulation, Applications and Perspectives,
Konular:
Mechanics, Applied.
Solids.
Chemistry > Data processing.
Statistics .
Computer simulation.
Biomathematics.
Solid Mechanics.
Computational Chemistry.
Statistics in Engineering, Physics, Computer Science, Chemistry and Earth Sciences.
Computer Modelling.
Mathematical and Computational Biology.
Online Erişim:Full-text access
OPAC'ta görüntüle
Diğer Bilgiler
Özet:This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors. All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.
Fiziksel Özellikler:XII, 324 p. 69 illus. online resource.
ISBN:9789811025020
ISSN:2364-5091
DOI:10.1007/978-981-10-2502-0

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