Variational Methods In Molecular Modeling (molecular Modeling And Simulation)
by Jianzhong Wu /
2016 / English / PDF
4.5 MB Download
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.
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.
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.
