Variational methods in molecular modeling /

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Bibliographic Details
Imprint:Singapore : Springer, 2017.
Description:1 online resource
Language:English
Series:Molecular modeling and simulation, applications and perspectives, 2364-5083
Molecular modeling and simulation.
Subject:
Format: E-Resource Book
URL for this record:http://pi.lib.uchicago.edu/1001/cat/bib/11270102
Hidden Bibliographic Details
Other authors / contributors:Wu, Jianzhong, editor.
ISBN:9789811025020
9811025029
9789811025006
9811025002
Digital file characteristics:text file PDF
Notes:Includes bibliographical references.
Online resource; title from PDF title page (SpringerLink, viewed December 21, 2016).
Summary: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.
Other form:Print version: Variational methods in molecular modeling. Singapore : Springer, 2017 9811025002 9789811025006
Standard no.:10.1007/978-981-10-2502-0