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Variational Methods in Molecular Modeling (Paperback, Softcover reprint of the original 1st ed. 2017)
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Variational Methods in Molecular Modeling (Paperback, Softcover reprint of the original 1st ed. 2017)
Series: Molecular Modeling and Simulation
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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.
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