Molecular Modeling and Simulation

Variational Methods in Molecular Modeling

Editors: Wu, Jianzhong (Ed.)

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  • Provides a unified approach to understanding and quantitative prediction of the properties and rich behavior of diverse many-body systems
  • Offers a balanced mix of physical intuition, mathematical derivations and numerical analysis
  • Illustrated with numerous pedagogical examples and real-world applications
  • Presents valuable alternatives to time-consuming molecular simulations
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eBook 117,69 €
price for Spain (gross)
  • ISBN 978-981-10-2502-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • Immediate eBook download after purchase and usable on all devices
  • Bulk discounts available
Hardcover 155,99 €
price for Spain (gross)
Softcover 155,99 €
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About this book

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.

About the authors

Dr. Jianzhong Wu is a professor of Chemical Engineering and a cooperating faculty member of Mathematics Department at the University of California, Riverside. His research is focused on the development and application of statistical-mechanical methods, in particular density functional theory, for predicting the microscopic structure and physiochemical properties of confined fluids, soft materials and biological systems.

Table of contents (10 chapters)

Table of contents (10 chapters)

Buy this book

eBook 117,69 €
price for Spain (gross)
  • ISBN 978-981-10-2502-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • Immediate eBook download after purchase and usable on all devices
  • Bulk discounts available
Hardcover 155,99 €
price for Spain (gross)
Softcover 155,99 €
price for Spain (gross)
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Bibliographic Information

Bibliographic Information
Book Title
Variational Methods in Molecular Modeling
Editors
  • Jianzhong Wu
Series Title
Molecular Modeling and Simulation
Copyright
2017
Publisher
Springer Singapore
Copyright Holder
Springer Science+Business Media Singapore
eBook ISBN
978-981-10-2502-0
DOI
10.1007/978-981-10-2502-0
Hardcover ISBN
978-981-10-2500-6
Softcover ISBN
978-981-10-9632-7
Series ISSN
2364-5083
Edition Number
1
Number of Pages
XII, 324
Number of Illustrations
69 b/w illustrations
Topics